1-cyclohexyl-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one

C14H19N3O — CID 135473418

IUPAC1-cyclohexyl-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cc(=O)[nH]c2c1c(C)nn2C1CCCCC1
InChIInChI=1S/C14H19N3O/c1-9-8-12(18)15-14-13(9)10(2)16-17(14)11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,15,18)
InChIKeyOFKWMESPTPUKLE-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.85
Rot. Bonds1

About 1-cyclohexyl-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one

1-cyclohexyl-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135473418) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-cyclohexyl-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-cyclohexyl-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135473418
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-cyclohexyl-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cc(=O)[nH]c2c1c(C)nn2C1CCCCC1
InChIInChI=1S/C14H19N3O/c1-9-8-12(18)15-14-13(9)10(2)16-17(14)11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,15,18)
InChIKeyOFKWMESPTPUKLE-UHFFFAOYSA-N
XLogP2.85
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-cyclohexyl-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135473418) is 1-cyclohexyl-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-cyclohexyl-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-cyclohexyl-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one is Cc1cc(=O)[nH]c2c1c(C)nn2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is OFKWMESPTPUKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9-8-12(18)15-14-13(9)10(2)16-17(14)11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,15,18).
What are the key properties of 1-cyclohexyl-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one?
1-cyclohexyl-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 245.33 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135473418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).