3-methyl-4-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

C10H15N3O — CID 137083088

IUPAC3-methyl-4-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESCc1[nH]nc2c1C(C(C)C)CC(=O)N2
InChIInChI=1S/C10H15N3O/c1-5(2)7-4-8(14)11-10-9(7)6(3)12-13-10/h5,7H,4H2,1-3H3,(H2,11,12,13,14)
InChIKeyMZYGNLZHPKSUBV-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.80
Rot. Bonds1

About 3-methyl-4-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

3-methyl-4-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (PubChem CID 137083088) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-methyl-4-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-methyl-4-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
PubChem CID137083088
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3-methyl-4-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESCc1[nH]nc2c1C(C(C)C)CC(=O)N2
InChIInChI=1S/C10H15N3O/c1-5(2)7-4-8(14)11-10-9(7)6(3)12-13-10/h5,7H,4H2,1-3H3,(H2,11,12,13,14)
InChIKeyMZYGNLZHPKSUBV-UHFFFAOYSA-N
XLogP1.80
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7'-Methyl-2',3',4',6'-tetrahydrospiro[cyclohexane-1,1'-pyrazolo[3,4-b]pyridine]-3'-one
CID 136227261
3-N-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 72127551
(4S)-4-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-3-cyclobutyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136698065
3-Piperidin-4-yl-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136953074
3-cyclobutyl-4-[2-(methylthio)ethyl]-2,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 136014771
3-Methyl-4-propyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 137083087
4-hydroxy-3-methyl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
CID 144848210
3-methyl-4-[2-(methylthio)ethyl]-2-propyl-2,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 136069320
3-isopropyl-4-(1-isopropylpiperidin-4-yl)-2,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 136076920
N-(5-acetyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)acetamide
CID 68440457
N-[5-(butylcarbamoylamino)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-methylbutanamide
CID 68441444
N-[5-(propan-2-ylcarbamoylamino)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]cyclopropanecarboxamide
CID 68441889

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 3-methyl-4-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (CID 137083088) is 3-methyl-4-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 3-methyl-4-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 3-methyl-4-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is Cc1[nH]nc2c1C(C(C)C)CC(=O)N2.
What is the InChIKey of 3-methyl-4-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The InChIKey is MZYGNLZHPKSUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-5(2)7-4-8(14)11-10-9(7)6(3)12-13-10/h5,7H,4H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 3-methyl-4-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
3-methyl-4-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one has a molecular weight of 193.25 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 137083088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).