4-amino-2-[1-[(2,3-difluoro-4-methylphenyl)methyl]-6-methylpyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one

C23H21F2N7O — CID 139537946

IUPAC4-amino-2-[1-[(2,3-difluoro-4-methylphenyl)methyl]-6-methylpyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1ccc2c(-c3nc(N)c4c(n3)NC(=O)C4(C)C)nn(Cc3ccc(C)c(F)c3F)c2n1
InChIInChI=1S/C23H21F2N7O/c1-10-5-7-12(16(25)15(10)24)9-32-21-13(8-6-11(2)27-21)17(31-32)20-28-18(26)14-19(29-20)30-22(33)23(14,3)4/h5-8H,9H2,1-4H3,(H3,26,28,29,30,33)
InChIKeyPENFMMDYYRTGLE-UHFFFAOYSA-N
MW449.47 g/mol
LogP3.64
Rot. Bonds3

About 4-amino-2-[1-[(2,3-difluoro-4-methylphenyl)methyl]-6-methylpyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one

4-amino-2-[1-[(2,3-difluoro-4-methylphenyl)methyl]-6-methylpyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 139537946) has the molecular formula C23H21F2N7O and a molecular weight of 449.47 g/mol. Its IUPAC name is 4-amino-2-[1-[(2,3-difluoro-4-methylphenyl)methyl]-6-methylpyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-[1-[(2,3-difluoro-4-methylphenyl)methyl]-6-methylpyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID139537946
Molecular FormulaC23H21F2N7O
Molecular Weight449.47 g/mol
Exact Mass449.18
IUPAC Name4-amino-2-[1-[(2,3-difluoro-4-methylphenyl)methyl]-6-methylpyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1ccc2c(-c3nc(N)c4c(n3)NC(=O)C4(C)C)nn(Cc3ccc(C)c(F)c3F)c2n1
InChIInChI=1S/C23H21F2N7O/c1-10-5-7-12(16(25)15(10)24)9-32-21-13(8-6-11(2)27-21)17(31-32)20-28-18(26)14-19(29-20)30-22(33)23(14,3)4/h5-8H,9H2,1-4H3,(H3,26,28,29,30,33)
InChIKeyPENFMMDYYRTGLE-UHFFFAOYSA-N
XLogP3.64
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-amino-2-[1-[(2,3-difluoro-4-methylphenyl)methyl]-6-methylpyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one with MolForge

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Related Compounds

4-cyclopropyl-2-[1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 56598379
4-amino-5-methyl-2-[6-methyl-1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]-N-(oxan-4-yl)-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 89438518
2-[5-fluoro-6-methyl-1-[(2,3,6-trifluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-4-iodo-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 118903205
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(3-methylbutylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 71290262
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-methoxy-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 71285704
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-[(2-methylpyrazol-3-yl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 71285373
4-amino-2-[3-[(2,3-difluorophenyl)methyl]-6-fluoroimidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 46223955
4-amino-2-[3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 46223957
4-amino-2-[1-[(2-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-bromo-2-[1-[(2-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158070561
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-methoxyethyl)-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 130319600
[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-4-yl] carbonochloridate
CID 118902734
4-(3,3-difluoropyrrolidin-1-yl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 71290233

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[1-[(2,3-difluoro-4-methylphenyl)methyl]-6-methylpyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-amino-2-[1-[(2,3-difluoro-4-methylphenyl)methyl]-6-methylpyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (CID 139537946) is 4-amino-2-[1-[(2,3-difluoro-4-methylphenyl)methyl]-6-methylpyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-[1-[(2,3-difluoro-4-methylphenyl)methyl]-6-methylpyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-amino-2-[1-[(2,3-difluoro-4-methylphenyl)methyl]-6-methylpyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one is Cc1ccc2c(-c3nc(N)c4c(n3)NC(=O)C4(C)C)nn(Cc3ccc(C)c(F)c3F)c2n1.
What is the InChIKey of 4-amino-2-[1-[(2,3-difluoro-4-methylphenyl)methyl]-6-methylpyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is PENFMMDYYRTGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N7O/c1-10-5-7-12(16(25)15(10)24)9-32-21-13(8-6-11(2)27-21)17(31-32)20-28-18(26)14-19(29-20)30-22(33)23(14,3)4/h5-8H,9H2,1-4H3,(H3,26,28,29,30,33).
What are the key properties of 4-amino-2-[1-[(2,3-difluoro-4-methylphenyl)methyl]-6-methylpyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
4-amino-2-[1-[(2,3-difluoro-4-methylphenyl)methyl]-6-methylpyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 449.47 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[1-[(2,3-difluoro-4-methylphenyl)methyl]-6-methylpyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 139537946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).