1-(4-methoxyphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-5-[4-(2-oxopiperidin-1-yl)phenyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one

C27H27N7O3 — CID 134145886

IUPAC1-(4-methoxyphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-5-[4-(2-oxopiperidin-1-yl)phenyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
SMILESCOc1ccc(-n2nc(-c3ncnn3C)c3c2CCN(c2ccc(N4CCCCC4=O)cc2)C3=O)cc1
InChIInChI=1S/C27H27N7O3/c1-31-26(28-17-29-31)25-24-22(34(30-25)20-10-12-21(37-2)13-11-20)14-16-33(27(24)36)19-8-6-18(7-9-19)32-15-4-3-5-23(32)35/h6-13,17H,3-5,14-16H2,1-2H3
InChIKeyWPEONDFNUHXSBN-UHFFFAOYSA-N
MW497.56 g/mol
LogP3.40
Rot. Bonds5

About 1-(4-methoxyphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-5-[4-(2-oxopiperidin-1-yl)phenyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one

1-(4-methoxyphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-5-[4-(2-oxopiperidin-1-yl)phenyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one (PubChem CID 134145886) has the molecular formula C27H27N7O3 and a molecular weight of 497.56 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-5-[4-(2-oxopiperidin-1-yl)phenyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-5-[4-(2-oxopiperidin-1-yl)phenyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
PubChem CID134145886
Molecular FormulaC27H27N7O3
Molecular Weight497.56 g/mol
Exact Mass497.22
IUPAC Name1-(4-methoxyphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-5-[4-(2-oxopiperidin-1-yl)phenyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
SMILESCOc1ccc(-n2nc(-c3ncnn3C)c3c2CCN(c2ccc(N4CCCCC4=O)cc2)C3=O)cc1
InChIInChI=1S/C27H27N7O3/c1-31-26(28-17-29-31)25-24-22(34(30-25)20-10-12-21(37-2)13-11-20)14-16-33(27(24)36)19-8-6-18(7-9-19)32-15-4-3-5-23(32)35/h6-13,17H,3-5,14-16H2,1-2H3
InChIKeyWPEONDFNUHXSBN-UHFFFAOYSA-N
XLogP3.40
TPSA98.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.56
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(4-methoxyphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-5-[4-(2-oxopiperidin-1-yl)phenyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-5-[4-(2-oxopiperidin-1-yl)phenyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 1-(4-methoxyphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-5-[4-(2-oxopiperidin-1-yl)phenyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one (CID 134145886) is 1-(4-methoxyphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-5-[4-(2-oxopiperidin-1-yl)phenyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-5-[4-(2-oxopiperidin-1-yl)phenyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-5-[4-(2-oxopiperidin-1-yl)phenyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one is COc1ccc(-n2nc(-c3ncnn3C)c3c2CCN(c2ccc(N4CCCCC4=O)cc2)C3=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-5-[4-(2-oxopiperidin-1-yl)phenyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
The InChIKey is WPEONDFNUHXSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O3/c1-31-26(28-17-29-31)25-24-22(34(30-25)20-10-12-21(37-2)13-11-20)14-16-33(27(24)36)19-8-6-18(7-9-19)32-15-4-3-5-23(32)35/h6-13,17H,3-5,14-16H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-5-[4-(2-oxopiperidin-1-yl)phenyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
1-(4-methoxyphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-5-[4-(2-oxopiperidin-1-yl)phenyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one has a molecular weight of 497.56 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-5-[4-(2-oxopiperidin-1-yl)phenyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 134145886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).