2-(3-amino-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl)cyclopentane-1-carbonitrile

C12H13N5O — CID 137100719

IUPAC2-(3-amino-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl)cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1n1nc(N)c2c(=O)[nH]ccc21
InChIInChI=1S/C12H13N5O/c13-6-7-2-1-3-8(7)17-9-4-5-15-12(18)10(9)11(14)16-17/h4-5,7-8H,1-3H2,(H2,14,16)(H,15,18)
InChIKeyCJJZTYDXBVIISQ-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.17
Rot. Bonds1

About 2-(3-amino-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl)cyclopentane-1-carbonitrile

2-(3-amino-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl)cyclopentane-1-carbonitrile (PubChem CID 137100719) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-(3-amino-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(3-amino-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl)cyclopentane-1-carbonitrile
PubChem CID137100719
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name2-(3-amino-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl)cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1n1nc(N)c2c(=O)[nH]ccc21
InChIInChI=1S/C12H13N5O/c13-6-7-2-1-3-8(7)17-9-4-5-15-12(18)10(9)11(14)16-17/h4-5,7-8H,1-3H2,(H2,14,16)(H,15,18)
InChIKeyCJJZTYDXBVIISQ-UHFFFAOYSA-N
XLogP1.17
TPSA100.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(3-amino-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl)cyclopentane-1-carbonitrile (CID 137100719) is 2-(3-amino-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(3-amino-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(3-amino-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl)cyclopentane-1-carbonitrile is N#CC1CCCC1n1nc(N)c2c(=O)[nH]ccc21.
What is the InChIKey of 2-(3-amino-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl)cyclopentane-1-carbonitrile?
The InChIKey is CJJZTYDXBVIISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c13-6-7-2-1-3-8(7)17-9-4-5-15-12(18)10(9)11(14)16-17/h4-5,7-8H,1-3H2,(H2,14,16)(H,15,18).
What are the key properties of 2-(3-amino-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl)cyclopentane-1-carbonitrile?
2-(3-amino-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl)cyclopentane-1-carbonitrile has a molecular weight of 243.27 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 137100719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).