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

C27H27N7O3 — CID 134147303

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

1-(4-methoxyphenyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (PubChem CID 134147303) has the molecular formula C27H27N7O3 and a molecular weight of 497.56 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

• Compound Name: 1-(4-methoxyphenyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
• PubChem CID: 134147303
• Molecular Formula: C27H27N7O3
• Molecular Weight: 497.56 g/mol
• Exact Mass: 497.22
• IUPAC Name: 1-(4-methoxyphenyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
• SMILES: COc1ccc(-n2nc(-c3n[nH]c(C)n3)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1
• InChI: InChI=1S/C27H27N7O3/c1-17-28-26(30-29-17)24-22-14-16-33(19-8-6-18(7-9-19)32-15-4-3-5-23(32)35)27(36)25(22)34(31-24)20-10-12-21(37-2)13-11-20/h6-13H,3-5,14-16H2,1-2H3,(H,28,29,30)
• InChIKey: GQBISPVSIJICKK-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 109.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.56
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?

The IUPAC name of 1-(4-methoxyphenyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (CID 134147303) is 1-(4-methoxyphenyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

What is the SMILES notation for 1-(4-methoxyphenyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?

The canonical SMILES for 1-(4-methoxyphenyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is COc1ccc(-n2nc(-c3n[nH]c(C)n3)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1.

What is the InChIKey of 1-(4-methoxyphenyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?

The InChIKey is GQBISPVSIJICKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O3/c1-17-28-26(30-29-17)24-22-14-16-33(19-8-6-18(7-9-19)32-15-4-3-5-23(32)35)27(36)25(22)34(31-24)20-10-12-21(37-2)13-11-20/h6-13H,3-5,14-16H2,1-2H3,(H,28,29,30).

What are the key properties of 1-(4-methoxyphenyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?

1-(4-methoxyphenyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one has a molecular weight of 497.56 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methoxyphenyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 134147303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).