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

C32H29N7O4 — CID 134143698

About 1-(4-methoxyphenyl)-3-(5-oxo-4-phenyl-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-oxo-4-phenyl-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 134143698) has the molecular formula C32H29N7O4 and a molecular weight of 575.63 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(5-oxo-4-phenyl-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-oxo-4-phenyl-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: 134143698
• Molecular Formula: C32H29N7O4
• Molecular Weight: 575.63 g/mol
• Exact Mass: 575.23
• IUPAC Name: 1-(4-methoxyphenyl)-3-(5-oxo-4-phenyl-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(=O)n3-c3ccccc3)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1
• InChI: InChI=1S/C32H29N7O4/c1-43-25-16-14-24(15-17-25)39-29-26(28(35-39)30-33-34-32(42)38(30)23-7-3-2-4-8-23)18-20-37(31(29)41)22-12-10-21(11-13-22)36-19-6-5-9-27(36)40/h2-4,7-8,10-17H,5-6,9,18-20H2,1H3,(H,34,42)
• InChIKey: ADQPVESDLGAUEC-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 118.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.63
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(5-oxo-4-phenyl-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-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (CID 134143698) is 1-(4-methoxyphenyl)-3-(5-oxo-4-phenyl-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-oxo-4-phenyl-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-oxo-4-phenyl-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(=O)n3-c3ccccc3)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1.

What is the InChIKey of 1-(4-methoxyphenyl)-3-(5-oxo-4-phenyl-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 ADQPVESDLGAUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N7O4/c1-43-25-16-14-24(15-17-25)39-29-26(28(35-39)30-33-34-32(42)38(30)23-7-3-2-4-8-23)18-20-37(31(29)41)22-12-10-21(11-13-22)36-19-6-5-9-27(36)40/h2-4,7-8,10-17H,5-6,9,18-20H2,1H3,(H,34,42).

What are the key properties of 1-(4-methoxyphenyl)-3-(5-oxo-4-phenyl-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-oxo-4-phenyl-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 575.63 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methoxyphenyl)-3-(5-oxo-4-phenyl-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 134143698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).