3-amino-1-[(1S,2S)-2-methylcyclopentyl]-5H-pyrazolo[4,3-c]pyridin-4-one

C12H16N4O — CID 137217642

IUPAC3-amino-1-[(1S,2S)-2-methylcyclopentyl]-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESC[C@H]1CCC[C@@H]1n1nc(N)c2c(=O)[nH]ccc21
InChIInChI=1S/C12H16N4O/c1-7-3-2-4-8(7)16-9-5-6-14-12(17)10(9)11(13)15-16/h5-8H,2-4H2,1H3,(H2,13,15)(H,14,17)/t7-,8-/m0/s1
InChIKeyMZPZWXPNAWMPIZ-YUMQZZPRSA-N
MW232.29 g/mol
LogP1.67
Rot. Bonds1

About 3-amino-1-[(1S,2S)-2-methylcyclopentyl]-5H-pyrazolo[4,3-c]pyridin-4-one

3-amino-1-[(1S,2S)-2-methylcyclopentyl]-5H-pyrazolo[4,3-c]pyridin-4-one (PubChem CID 137217642) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-amino-1-[(1S,2S)-2-methylcyclopentyl]-5H-pyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name3-amino-1-[(1S,2S)-2-methylcyclopentyl]-5H-pyrazolo[4,3-c]pyridin-4-one
PubChem CID137217642
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-amino-1-[(1S,2S)-2-methylcyclopentyl]-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESC[C@H]1CCC[C@@H]1n1nc(N)c2c(=O)[nH]ccc21
InChIInChI=1S/C12H16N4O/c1-7-3-2-4-8(7)16-9-5-6-14-12(17)10(9)11(13)15-16/h5-8H,2-4H2,1H3,(H2,13,15)(H,14,17)/t7-,8-/m0/s1
InChIKeyMZPZWXPNAWMPIZ-YUMQZZPRSA-N
XLogP1.67
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-amino-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl)cyclopentane-1-carbonitrile
CID 137100719
3-amino-1-piperidin-4-yl-5H-pyrazolo[4,3-c]pyridin-4-one
CID 142728717
3-amino-1-[(1S,2R)-2-isocyanocycloheptyl]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 140742531
1-[(1S,2S)-2-methylcyclopentyl]-3-[4-[2,2,2-trifluoro-1-(propan-2-ylamino)ethyl]anilino]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137217632
1-(2-methylcyclohexyl)-3-[(1-methyl-2,3-dihydro-1H-isoindol-5-yl)amino]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137121909
tert-butyl 1-[2-methyl-1-[4-[[1-[(1S,2S)-2-methylcyclohexyl]-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]propyl]triazole-4-carboxylate
CID 137217719
4-amino-1-[(1R,2S)-2-methylcyclopentyl]pyrazolo[3,4-d]pyrimidine-3-carboxylic acid
CID 140834541
3-(4-aminosulfanylphenyl)-1-(4-ethyl-4-hydroxycyclohexyl)-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137160756
5-amino-1-(2-methylcyclohexyl)pyridin-2-one
CID 165480195
3-(1-cyclopentyl-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl)benzamide
CID 137010699
(2S)-2-[3-(4-methylsulfonylanilino)-4-oxo-5H-pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carbonitrile
CID 137217541
N-tert-butyl-4-[[1-(2-cyanocyclopentyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]benzenesulfonamide
CID 136639246

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(1S,2S)-2-methylcyclopentyl]-5H-pyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 3-amino-1-[(1S,2S)-2-methylcyclopentyl]-5H-pyrazolo[4,3-c]pyridin-4-one (CID 137217642) is 3-amino-1-[(1S,2S)-2-methylcyclopentyl]-5H-pyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 3-amino-1-[(1S,2S)-2-methylcyclopentyl]-5H-pyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 3-amino-1-[(1S,2S)-2-methylcyclopentyl]-5H-pyrazolo[4,3-c]pyridin-4-one is C[C@H]1CCC[C@@H]1n1nc(N)c2c(=O)[nH]ccc21.
What is the InChIKey of 3-amino-1-[(1S,2S)-2-methylcyclopentyl]-5H-pyrazolo[4,3-c]pyridin-4-one?
The InChIKey is MZPZWXPNAWMPIZ-YUMQZZPRSA-N. The full InChI is InChI=1S/C12H16N4O/c1-7-3-2-4-8(7)16-9-5-6-14-12(17)10(9)11(13)15-16/h5-8H,2-4H2,1H3,(H2,13,15)(H,14,17)/t7-,8-/m0/s1.
What are the key properties of 3-amino-1-[(1S,2S)-2-methylcyclopentyl]-5H-pyrazolo[4,3-c]pyridin-4-one?
3-amino-1-[(1S,2S)-2-methylcyclopentyl]-5H-pyrazolo[4,3-c]pyridin-4-one has a molecular weight of 232.29 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(1S,2S)-2-methylcyclopentyl]-5H-pyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 137217642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).