2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one

C20H15FN6O2 — CID 56598244

IUPAC2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1(O)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)ncc21
InChIInChI=1S/C20H15FN6O2/c1-20(29)13-9-23-17(24-16(13)25-19(20)28)15-12-6-4-8-22-18(12)27(26-15)10-11-5-2-3-7-14(11)21/h2-9,29H,10H2,1H3,(H,23,24,25,28)
InChIKeyPSDQJRJJQYVHNZ-UHFFFAOYSA-N
MW390.38 g/mol
LogP2.24
Rot. Bonds3

About 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one

2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 56598244) has the molecular formula C20H15FN6O2 and a molecular weight of 390.38 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID56598244
Molecular FormulaC20H15FN6O2
Molecular Weight390.38 g/mol
Exact Mass390.12
IUPAC Name2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1(O)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)ncc21
InChIInChI=1S/C20H15FN6O2/c1-20(29)13-9-23-17(24-16(13)25-19(20)28)15-12-6-4-8-22-18(12)27(26-15)10-11-5-2-3-7-14(11)21/h2-9,29H,10H2,1H3,(H,23,24,25,28)
InChIKeyPSDQJRJJQYVHNZ-UHFFFAOYSA-N
XLogP2.24
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-methyl-7H-pyrrolo[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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (CID 56598244) is 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one is CC1(O)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)ncc21.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is PSDQJRJJQYVHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN6O2/c1-20(29)13-9-23-17(24-16(13)25-19(20)28)15-12-6-4-8-22-18(12)27(26-15)10-11-5-2-3-7-14(11)21/h2-9,29H,10H2,1H3,(H,23,24,25,28).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 390.38 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 56598244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).