1-cyclohexyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one

C21H27N3O2 — CID 10689417

IUPAC1-cyclohexyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCCc1nn(C2CCCCC2)c2c1CCN(c1cccc(OC)c1)C2=O
InChIInChI=1S/C21H27N3O2/c1-3-19-18-12-13-23(16-10-7-11-17(14-16)26-2)21(25)20(18)24(22-19)15-8-5-4-6-9-15/h7,10-11,14-15H,3-6,8-9,12-13H2,1-2H3
InChIKeyHRVGXJYBJMMTEJ-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.16
Rot. Bonds4

About 1-cyclohexyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one

1-cyclohexyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (PubChem CID 10689417) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-cyclohexyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.

Molecular Properties

Compound Name1-cyclohexyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
PubChem CID10689417
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name1-cyclohexyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCCc1nn(C2CCCCC2)c2c1CCN(c1cccc(OC)c1)C2=O
InChIInChI=1S/C21H27N3O2/c1-3-19-18-12-13-23(16-10-7-11-17(14-16)26-2)21(25)20(18)24(22-19)15-8-5-4-6-9-15/h7,10-11,14-15H,3-6,8-9,12-13H2,1-2H3
InChIKeyHRVGXJYBJMMTEJ-UHFFFAOYSA-N
XLogP4.16
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The IUPAC name of 1-cyclohexyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (CID 10689417) is 1-cyclohexyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.
What is the SMILES notation for 1-cyclohexyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The canonical SMILES for 1-cyclohexyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is CCc1nn(C2CCCCC2)c2c1CCN(c1cccc(OC)c1)C2=O.
What is the InChIKey of 1-cyclohexyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The InChIKey is HRVGXJYBJMMTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-3-19-18-12-13-23(16-10-7-11-17(14-16)26-2)21(25)20(18)24(22-19)15-8-5-4-6-9-15/h7,10-11,14-15H,3-6,8-9,12-13H2,1-2H3.
What are the key properties of 1-cyclohexyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
1-cyclohexyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one has a molecular weight of 353.47 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is sourced from PubChem (CID 10689417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).