2-cyclobutyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)benzamide

C17H17N5O2 — CID 154789388

IUPAC2-cyclobutyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)benzamide
SMILESCn1ncc2c(=O)[nH]c(NC(=O)c3ccccc3C3CCC3)nc21
InChIInChI=1S/C17H17N5O2/c1-22-14-13(9-18-22)16(24)21-17(19-14)20-15(23)12-8-3-2-7-11(12)10-5-4-6-10/h2-3,7-10H,4-6H2,1H3,(H2,19,20,21,23,24)
InChIKeyXJLAZMDWOGEBRB-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.18
Rot. Bonds3

About 2-cyclobutyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)benzamide

2-cyclobutyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)benzamide (PubChem CID 154789388) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-cyclobutyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)benzamide.

Molecular Properties

Compound Name2-cyclobutyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)benzamide
PubChem CID154789388
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name2-cyclobutyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)benzamide
SMILESCn1ncc2c(=O)[nH]c(NC(=O)c3ccccc3C3CCC3)nc21
InChIInChI=1S/C17H17N5O2/c1-22-14-13(9-18-22)16(24)21-17(19-14)20-15(23)12-8-3-2-7-11(12)10-5-4-6-10/h2-3,7-10H,4-6H2,1H3,(H2,19,20,21,23,24)
InChIKeyXJLAZMDWOGEBRB-UHFFFAOYSA-N
XLogP2.18
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-cyclobutyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)benzamide 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

2-cyclohexyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)acetamide
CID 167937950
6-(cycloheptylamino)-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135993684
2-chloro-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]benzamide
CID 136604575
N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-[(3-methyl-2-pyridinyl)oxy]benzamide
CID 167887464
1-methyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)cyclopent-2-ene-1-carboxamide
CID 138051307
6-[1-[(2R,4R)-1,2-dimethylpiperidine-4-carbonyl]azetidin-3-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166384302
6-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 138042244
1-methyl-6-[[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136580596
4-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-5-phenylpentanoic acid
CID 137168809
1-methyl-6-[(3-phenylpyrrolidin-1-yl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135965609
1-methyl-6-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135455617
6-benzyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 163926898

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)benzamide?
The IUPAC name of 2-cyclobutyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)benzamide (CID 154789388) is 2-cyclobutyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)benzamide.
What is the SMILES notation for 2-cyclobutyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)benzamide?
The canonical SMILES for 2-cyclobutyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)benzamide is Cn1ncc2c(=O)[nH]c(NC(=O)c3ccccc3C3CCC3)nc21.
What is the InChIKey of 2-cyclobutyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)benzamide?
The InChIKey is XJLAZMDWOGEBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-22-14-13(9-18-22)16(24)21-17(19-14)20-15(23)12-8-3-2-7-11(12)10-5-4-6-10/h2-3,7-10H,4-6H2,1H3,(H2,19,20,21,23,24).
What are the key properties of 2-cyclobutyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)benzamide?
2-cyclobutyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)benzamide has a molecular weight of 323.36 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)benzamide is sourced from PubChem (CID 154789388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).