U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C41H42FN5O7
Molecular Weight 735.7999
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-[4-[2-Amino-5-[4-[(2R)-1,4-dioxan-2-ylmethoxy]-3-methoxyphenyl]-3-pyridinyl]-3-fluorophenyl]-1?,4?-dihydro-5-methyl-4?-oxo-1?-[(tetrahydro-2H-pyran-4-yl)methyl][2,3?-bipyridine]-5?-carboxamide

SMILES

COC1=CC(=CC=C1OC[C@H]2COCCO2)C3=CC(=C(N)N=C3)C4=CC=C(NC(=O)C5=CN(CC6CCOCC6)C=C(C5=O)C7=NC=C(C)C=C7)C=C4F

InChI

InChIKey=ZOEILZXFYPPMTR-SSEXGKCCSA-N
InChI=1S/C41H42FN5O7/c1-25-3-7-36(44-18-25)33-21-47(20-26-9-11-51-12-10-26)22-34(39(33)48)41(49)46-29-5-6-31(35(42)17-29)32-15-28(19-45-40(32)43)27-4-8-37(38(16-27)50-2)54-24-30-23-52-13-14-53-30/h3-8,15-19,21-22,26,30H,9-14,20,23-24H2,1-2H3,(H2,43,45)(H,46,49)/t30-/m1/s1

HIDE SMILES / InChI

Molecular Formula C41H42FN5O7
Molecular Weight 735.7999
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 23:49:16 GMT 2025
Edited
by admin
on Tue Apr 01 23:49:16 GMT 2025
Record UNII
6X6A4R08VH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-[4-[2-Amino-5-[4-[(2R)-1,4-dioxan-2-ylmethoxy]-3-methoxyphenyl]-3-pyridinyl]-3-fluorophenyl]-1?,4?-dihydro-5-methyl-4?-oxo-1?-[(tetrahydro-2H-pyran-4-yl)methyl][2,3?-bipyridine]-5?-carboxamide
Systematic Name English
DS1205A
Preferred Name English
(R)-N-(4-(5-(4-((1,4-Dioxan-2-yl)methoxy)-3-methoxyphenyl)-2-aminopyridin-3-yl)-3-fluorophenyl)-5-methyl-4'-oxo-1'-((tetrahydro-2H-pyran-4-yl)methyl)-1',4'-dihydro-[2,3'-bipyridine]-5'-carboxamide
Systematic Name English
DS-1205A
Code English
Code System Code Type Description
CAS
1855860-24-0
Created by admin on Tue Apr 01 23:49:16 GMT 2025 , Edited by admin on Tue Apr 01 23:49:16 GMT 2025
PRIMARY
FDA UNII
6X6A4R08VH
Created by admin on Tue Apr 01 23:49:16 GMT 2025 , Edited by admin on Tue Apr 01 23:49:16 GMT 2025
PRIMARY
PUBCHEM
129110632
Created by admin on Tue Apr 01 23:49:16 GMT 2025 , Edited by admin on Tue Apr 01 23:49:16 GMT 2025
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR