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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H22ClN7O3
Molecular Weight 431.876
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PF-06459988

SMILES

CO[C@H]1CN(C[C@@H]1COC2=NC(NC3=CN(C)N=C3)=NC4=C2C(Cl)=CN4)C(=O)C=C

InChI

InChIKey=ODMXWZROLKITMS-RISCZKNCSA-N
InChI=1S/C19H22ClN7O3/c1-4-15(28)27-7-11(14(9-27)29-3)10-30-18-16-13(20)6-21-17(16)24-19(25-18)23-12-5-22-26(2)8-12/h4-6,8,11,14H,1,7,9-10H2,2-3H3,(H2,21,23,24,25)/t11-,14+/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H22ClN7O3
Molecular Weight 431.876
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:06:58 GMT 2023
Edited
by admin
on Fri Dec 15 16:06:58 GMT 2023
Record UNII
5IE92SK9EB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PF-06459988
Code English
2-PROPEN-1-ONE, 1-((3R,4R)-3-(((5-CHLORO-2-((1-METHYL-1H-PYRAZOL-4-YL)AMINO)-7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)OXY)METHYL)-4-METHOXY-1-PYRROLIDINYL)-
Systematic Name English
1-((3R,4R)-3-(((5-CHLORO-2-((1-METHYL-1H-PYRAZOL-4-YL)AMINO)-7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)OXY)METHYL)-4-METHOXY-1-PYRROLIDINYL)-2-PROPEN-1-ONE
Systematic Name English
Code System Code Type Description
DRUG BANK
DB14768
Created by admin on Fri Dec 15 16:06:58 GMT 2023 , Edited by admin on Fri Dec 15 16:06:58 GMT 2023
PRIMARY
NCI_THESAURUS
C119624
Created by admin on Fri Dec 15 16:06:58 GMT 2023 , Edited by admin on Fri Dec 15 16:06:58 GMT 2023
PRIMARY
CAS
1428774-45-1
Created by admin on Fri Dec 15 16:06:58 GMT 2023 , Edited by admin on Fri Dec 15 16:06:58 GMT 2023
PRIMARY
PUBCHEM
71535003
Created by admin on Fri Dec 15 16:06:58 GMT 2023 , Edited by admin on Fri Dec 15 16:06:58 GMT 2023
PRIMARY
FDA UNII
5IE92SK9EB
Created by admin on Fri Dec 15 16:06:58 GMT 2023 , Edited by admin on Fri Dec 15 16:06:58 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY