1-methyl-6-phenyl-4-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrimidin-2-one

C17H13N5O — CID 59028161

IUPAC1-methyl-6-phenyl-4-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrimidin-2-one
SMILESCn1c(-c2ccccc2)cc(-c2ccc3[nH]ncc3n2)nc1=O
InChIInChI=1S/C17H13N5O/c1-22-16(11-5-3-2-4-6-11)9-14(20-17(22)23)12-7-8-13-15(19-12)10-18-21-13/h2-10H,1H3,(H,18,21)
InChIKeyQSABGHODTUKORV-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.39
Rot. Bonds2

About 1-methyl-6-phenyl-4-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrimidin-2-one

1-methyl-6-phenyl-4-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrimidin-2-one (PubChem CID 59028161) has the molecular formula C17H13N5O and a molecular weight of 303.32 g/mol. Its IUPAC name is 1-methyl-6-phenyl-4-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrimidin-2-one.

Molecular Properties

Compound Name1-methyl-6-phenyl-4-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrimidin-2-one
PubChem CID59028161
Molecular FormulaC17H13N5O
Molecular Weight303.32 g/mol
Exact Mass303.11
IUPAC Name1-methyl-6-phenyl-4-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrimidin-2-one
SMILESCn1c(-c2ccccc2)cc(-c2ccc3[nH]ncc3n2)nc1=O
InChIInChI=1S/C17H13N5O/c1-22-16(11-5-3-2-4-6-11)9-14(20-17(22)23)12-7-8-13-15(19-12)10-18-21-13/h2-10H,1H3,(H,18,21)
InChIKeyQSABGHODTUKORV-UHFFFAOYSA-N
XLogP2.39
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-6-phenyl-4-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrimidin-2-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 1-methyl-6-phenyl-4-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrimidin-2-one?
The IUPAC name of 1-methyl-6-phenyl-4-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrimidin-2-one (CID 59028161) is 1-methyl-6-phenyl-4-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrimidin-2-one.
What is the SMILES notation for 1-methyl-6-phenyl-4-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrimidin-2-one?
The canonical SMILES for 1-methyl-6-phenyl-4-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrimidin-2-one is Cn1c(-c2ccccc2)cc(-c2ccc3[nH]ncc3n2)nc1=O.
What is the InChIKey of 1-methyl-6-phenyl-4-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrimidin-2-one?
The InChIKey is QSABGHODTUKORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c1-22-16(11-5-3-2-4-6-11)9-14(20-17(22)23)12-7-8-13-15(19-12)10-18-21-13/h2-10H,1H3,(H,18,21).
What are the key properties of 1-methyl-6-phenyl-4-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrimidin-2-one?
1-methyl-6-phenyl-4-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrimidin-2-one has a molecular weight of 303.32 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-phenyl-4-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrimidin-2-one is sourced from PubChem (CID 59028161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).