3-(1-cyclopentyl-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl)benzonitrile

C18H16N4O — CID 137010645

IUPAC3-(1-cyclopentyl-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl)benzonitrile
SMILESN#Cc1cccc(-c2nn(C3CCCC3)c3cc[nH]c(=O)c23)c1
InChIInChI=1S/C18H16N4O/c19-11-12-4-3-5-13(10-12)17-16-15(8-9-20-18(16)23)22(21-17)14-6-1-2-7-14/h3-5,8-10,14H,1-2,6-7H2,(H,20,23)
InChIKeyKDEUEQQLEVDVKH-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.38
Rot. Bonds2

About 3-(1-cyclopentyl-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl)benzonitrile

3-(1-cyclopentyl-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl)benzonitrile (PubChem CID 137010645) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-(1-cyclopentyl-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl)benzonitrile.

Molecular Properties

Compound Name3-(1-cyclopentyl-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl)benzonitrile
PubChem CID137010645
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name3-(1-cyclopentyl-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl)benzonitrile
SMILESN#Cc1cccc(-c2nn(C3CCCC3)c3cc[nH]c(=O)c23)c1
InChIInChI=1S/C18H16N4O/c19-11-12-4-3-5-13(10-12)17-16-15(8-9-20-18(16)23)22(21-17)14-6-1-2-7-14/h3-5,8-10,14H,1-2,6-7H2,(H,20,23)
InChIKeyKDEUEQQLEVDVKH-UHFFFAOYSA-N
XLogP3.38
TPSA74.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1-cyclopentyl-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl)benzonitrile 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

3-(1-cyclopentyl-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl)benzamide
CID 137010699
4-(1-cyclopentyl-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl)-N-cyclopropylthiophene-2-carboxamide
CID 137010615
3-amino-1-piperidin-4-yl-5H-pyrazolo[4,3-c]pyridin-4-one
CID 142728717
1-cyclopentyl-3-(3-phenoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137005153
2-(3-amino-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl)cyclopentane-1-carbonitrile
CID 137100719
3-(4-aminosulfanylphenyl)-1-(oxolan-3-yl)-5H-pyrazolo[4,3-c]pyridin-4-one;dihydrate
CID 162338575
3-(3-fluorophenyl)-1-trityl-5H-pyrazolo[4,3-c]pyridin-4-one
CID 135829582
3-(2-cyclopropyl-5-methyl-6-oxo-1H-pyrimidin-4-yl)benzonitrile
CID 136691905
1-cyclopentyl-3-[4-(2,2,2-trifluoro-1-hydroxyethyl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137145528
3-(4-aminosulfanylphenyl)-1-(4-ethyl-4-hydroxycyclohexyl)-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137160756
3-[3-(2-amino-1-cyclohexyl-4-cyclopropyl-5-oxoimidazol-4-yl)phenyl]benzonitrile
CID 86273841
3-(6-oxo-1H-pyrimidin-5-yl)benzonitrile
CID 106514390

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopentyl-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl)benzonitrile?
The IUPAC name of 3-(1-cyclopentyl-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl)benzonitrile (CID 137010645) is 3-(1-cyclopentyl-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl)benzonitrile.
What is the SMILES notation for 3-(1-cyclopentyl-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl)benzonitrile?
The canonical SMILES for 3-(1-cyclopentyl-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl)benzonitrile is N#Cc1cccc(-c2nn(C3CCCC3)c3cc[nH]c(=O)c23)c1.
What is the InChIKey of 3-(1-cyclopentyl-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl)benzonitrile?
The InChIKey is KDEUEQQLEVDVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c19-11-12-4-3-5-13(10-12)17-16-15(8-9-20-18(16)23)22(21-17)14-6-1-2-7-14/h3-5,8-10,14H,1-2,6-7H2,(H,20,23).
What are the key properties of 3-(1-cyclopentyl-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl)benzonitrile?
3-(1-cyclopentyl-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl)benzonitrile has a molecular weight of 304.35 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopentyl-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl)benzonitrile is sourced from PubChem (CID 137010645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).