(5R)-4-amino-5-methyl-2-[1-(4,4,4-trifluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

C17H16F3N7O — CID 139537874

IUPAC(5R)-4-amino-5-methyl-2-[1-(4,4,4-trifluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESC[C@H]1C(=O)Nc2nc(-c3nn(CCCC(F)(F)F)c4ncccc34)nc(N)c21
InChIInChI=1S/C17H16F3N7O/c1-8-10-12(21)23-14(24-13(10)25-16(8)28)11-9-4-2-6-22-15(9)27(26-11)7-3-5-17(18,19)20/h2,4,6,8H,3,5,7H2,1H3,(H3,21,23,24,25,28)/t8-/m1/s1
InChIKeyBEFDXPSAXWTGLD-MRVPVSSYSA-N
MW391.36 g/mol
LogP2.87
Rot. Bonds4

About (5R)-4-amino-5-methyl-2-[1-(4,4,4-trifluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

(5R)-4-amino-5-methyl-2-[1-(4,4,4-trifluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 139537874) has the molecular formula C17H16F3N7O and a molecular weight of 391.36 g/mol. Its IUPAC name is (5R)-4-amino-5-methyl-2-[1-(4,4,4-trifluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name(5R)-4-amino-5-methyl-2-[1-(4,4,4-trifluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
PubChem CID139537874
Molecular FormulaC17H16F3N7O
Molecular Weight391.36 g/mol
Exact Mass391.14
IUPAC Name(5R)-4-amino-5-methyl-2-[1-(4,4,4-trifluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESC[C@H]1C(=O)Nc2nc(-c3nn(CCCC(F)(F)F)c4ncccc34)nc(N)c21
InChIInChI=1S/C17H16F3N7O/c1-8-10-12(21)23-14(24-13(10)25-16(8)28)11-9-4-2-6-22-15(9)27(26-11)7-3-5-17(18,19)20/h2,4,6,8H,3,5,7H2,1H3,(H3,21,23,24,25,28)/t8-/m1/s1
InChIKeyBEFDXPSAXWTGLD-MRVPVSSYSA-N
XLogP2.87
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (5R)-4-amino-5-methyl-2-[1-(4,4,4-trifluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Adipiplon
CID 11198924
VX 509
CID 59422203
Selitrectinib
CID 129103609
5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
Tuvusertib
CID 90199447
4-methyl-3-(1-methyl-6-(pyridin-3-yl)-1H-pyrazolo(3,4-d)pyrimidin-4-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16747388
Nelociguat
CID 11690019
4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide
CID 57377630
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid (6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-amide
CID 57377741
6-(dimethylamino)-4-((methylamino)methyl)-2-(6-(4-(propan-2-yl)-4H-1,2,4-triazol-3-yl)pyridin-2-yl)-1H,2H,3H-pyrrolo(3,4-c)pyridin-1-one
CID 146572046
(3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-2-one
CID 145946114
4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide
CID 57377960

Frequently Asked Questions

What is the IUPAC name of (5R)-4-amino-5-methyl-2-[1-(4,4,4-trifluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of (5R)-4-amino-5-methyl-2-[1-(4,4,4-trifluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (CID 139537874) is (5R)-4-amino-5-methyl-2-[1-(4,4,4-trifluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for (5R)-4-amino-5-methyl-2-[1-(4,4,4-trifluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for (5R)-4-amino-5-methyl-2-[1-(4,4,4-trifluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is C[C@H]1C(=O)Nc2nc(-c3nn(CCCC(F)(F)F)c4ncccc34)nc(N)c21.
What is the InChIKey of (5R)-4-amino-5-methyl-2-[1-(4,4,4-trifluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is BEFDXPSAXWTGLD-MRVPVSSYSA-N. The full InChI is InChI=1S/C17H16F3N7O/c1-8-10-12(21)23-14(24-13(10)25-16(8)28)11-9-4-2-6-22-15(9)27(26-11)7-3-5-17(18,19)20/h2,4,6,8H,3,5,7H2,1H3,(H3,21,23,24,25,28)/t8-/m1/s1.
What are the key properties of (5R)-4-amino-5-methyl-2-[1-(4,4,4-trifluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
(5R)-4-amino-5-methyl-2-[1-(4,4,4-trifluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 391.36 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-amino-5-methyl-2-[1-(4,4,4-trifluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 139537874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).