(5S)-2-cyclopentyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-one

C12H19N3O — CID 99110049

IUPAC(5S)-2-cyclopentyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-one
SMILESC[C@@H]1CNc2[nH]n(C3CCCC3)c(=O)c2C1
InChIInChI=1S/C12H19N3O/c1-8-6-10-11(13-7-8)14-15(12(10)16)9-4-2-3-5-9/h8-9,13-14H,2-7H2,1H3/t8-/m0/s1
InChIKeyAMQQOKVVWSKKNG-QMMMGPOBSA-N
MW221.30 g/mol
LogP1.90
Rot. Bonds1

About (5S)-2-cyclopentyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-one

(5S)-2-cyclopentyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-one (PubChem CID 99110049) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (5S)-2-cyclopentyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name(5S)-2-cyclopentyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-one
PubChem CID99110049
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(5S)-2-cyclopentyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-one
SMILESC[C@@H]1CNc2[nH]n(C3CCCC3)c(=O)c2C1
InChIInChI=1S/C12H19N3O/c1-8-6-10-11(13-7-8)14-15(12(10)16)9-4-2-3-5-9/h8-9,13-14H,2-7H2,1H3/t8-/m0/s1
InChIKeyAMQQOKVVWSKKNG-QMMMGPOBSA-N
XLogP1.90
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5S)-2-cyclopentyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-one 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-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-one
CID 102548933
2-cycloheptyl-4,5-dimethyl-1H-pyrazol-3-one
CID 66022942
2-cycloheptyl-4,6-dihydro-1H-furo[3,4-c]pyrazol-3-one
CID 105479375
2-cycloheptyl-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one
CID 83196568
2-cycloheptyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one
CID 105496819
4-amino-2-cyclohexyl-5-methyl-1H-pyrazol-3-one
CID 112693118
2-cycloheptyl-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
CID 115040963
2-cyclobutyl-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 105460796
2-cycloheptyl-5-methyl-4-propan-2-yl-1H-pyrazol-3-one
CID 66022732
2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one
CID 105496823
4-amino-2-cyclohexyl-5-propan-2-yl-1H-pyrazol-3-one
CID 103995106
2-piperidin-4-yl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
CID 105461939

Frequently Asked Questions

What is the IUPAC name of (5S)-2-cyclopentyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of (5S)-2-cyclopentyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-one (CID 99110049) is (5S)-2-cyclopentyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-one.
What is the SMILES notation for (5S)-2-cyclopentyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for (5S)-2-cyclopentyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-one is C[C@@H]1CNc2[nH]n(C3CCCC3)c(=O)c2C1.
What is the InChIKey of (5S)-2-cyclopentyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-one?
The InChIKey is AMQQOKVVWSKKNG-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-6-10-11(13-7-8)14-15(12(10)16)9-4-2-3-5-9/h8-9,13-14H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of (5S)-2-cyclopentyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-one?
(5S)-2-cyclopentyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-one has a molecular weight of 221.30 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-cyclopentyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 99110049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).