1-cyclohexyl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one

C13H17N3O — CID 135584534

IUPAC1-cyclohexyl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cc(=O)[nH]c2c1cnn2C1CCCCC1
InChIInChI=1S/C13H17N3O/c1-9-7-12(17)15-13-11(9)8-14-16(13)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,15,17)
InChIKeyIZTPUHVRPIIKCK-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.54
Rot. Bonds1

About 1-cyclohexyl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one

1-cyclohexyl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135584534) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-cyclohexyl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-cyclohexyl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135584534
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-cyclohexyl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cc(=O)[nH]c2c1cnn2C1CCCCC1
InChIInChI=1S/C13H17N3O/c1-9-7-12(17)15-13-11(9)8-14-16(13)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,15,17)
InChIKeyIZTPUHVRPIIKCK-UHFFFAOYSA-N
XLogP2.54
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-cyclohexyl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135584534) is 1-cyclohexyl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-cyclohexyl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-cyclohexyl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one is Cc1cc(=O)[nH]c2c1cnn2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is IZTPUHVRPIIKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-7-12(17)15-13-11(9)8-14-16(13)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,15,17).
What are the key properties of 1-cyclohexyl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one?
1-cyclohexyl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 231.30 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135584534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).