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

C19H23N3O2 — CID 10592156

IUPAC1-cyclobutyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCCc1nn(C2CCC2)c2c1CCN(c1cccc(OC)c1)C2=O
InChIInChI=1S/C19H23N3O2/c1-3-17-16-10-11-21(14-8-5-9-15(12-14)24-2)19(23)18(16)22(20-17)13-6-4-7-13/h5,8-9,12-13H,3-4,6-7,10-11H2,1-2H3
InChIKeyZPKXBOPRMSHUDR-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.38
Rot. Bonds4

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

1-cyclobutyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (PubChem CID 10592156) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-cyclobutyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.

Molecular Properties

Compound Name1-cyclobutyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
PubChem CID10592156
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-cyclobutyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCCc1nn(C2CCC2)c2c1CCN(c1cccc(OC)c1)C2=O
InChIInChI=1S/C19H23N3O2/c1-3-17-16-10-11-21(14-8-5-9-15(12-14)24-2)19(23)18(16)22(20-17)13-6-4-7-13/h5,8-9,12-13H,3-4,6-7,10-11H2,1-2H3
InChIKeyZPKXBOPRMSHUDR-UHFFFAOYSA-N
XLogP3.38
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The IUPAC name of 1-cyclobutyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (CID 10592156) is 1-cyclobutyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.
What is the SMILES notation for 1-cyclobutyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The canonical SMILES for 1-cyclobutyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is CCc1nn(C2CCC2)c2c1CCN(c1cccc(OC)c1)C2=O.
What is the InChIKey of 1-cyclobutyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The InChIKey is ZPKXBOPRMSHUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-17-16-10-11-21(14-8-5-9-15(12-14)24-2)19(23)18(16)22(20-17)13-6-4-7-13/h5,8-9,12-13H,3-4,6-7,10-11H2,1-2H3.
What are the key properties of 1-cyclobutyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
1-cyclobutyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one has a molecular weight of 325.41 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is sourced from PubChem (CID 10592156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).