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

C31H34N8O4 — CID 132938122

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

1-(4-methoxyphenyl)-3-[3-(morpholin-4-ylmethyl)-1,2,4-triazol-4-yl]-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (PubChem CID 132938122) has the molecular formula C31H34N8O4 and a molecular weight of 582.67 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[3-(morpholin-4-ylmethyl)-1,2,4-triazol-4-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-[3-(morpholin-4-ylmethyl)-1,2,4-triazol-4-yl]-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
• PubChem CID: 132938122
• Molecular Formula: C31H34N8O4
• Molecular Weight: 582.67 g/mol
• Exact Mass: 582.27
• IUPAC Name: 1-(4-methoxyphenyl)-3-[3-(morpholin-4-ylmethyl)-1,2,4-triazol-4-yl]-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
• SMILES: COc1ccc(-n2nc(-n3cnnc3CN3CCOCC3)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1
• InChI: InChI=1S/C31H34N8O4/c1-42-25-11-9-24(10-12-25)39-29-26(30(34-39)38-21-32-33-27(38)20-35-16-18-43-19-17-35)13-15-37(31(29)41)23-7-5-22(6-8-23)36-14-3-2-4-28(36)40/h5-12,21H,2-4,13-20H2,1H3
• InChIKey: FAFZXVLULLALEI-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 110.85 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	582.67
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[3-(morpholin-4-ylmethyl)-1,2,4-triazol-4-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-[3-(morpholin-4-ylmethyl)-1,2,4-triazol-4-yl]-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (CID 132938122) is 1-(4-methoxyphenyl)-3-[3-(morpholin-4-ylmethyl)-1,2,4-triazol-4-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-[3-(morpholin-4-ylmethyl)-1,2,4-triazol-4-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-[3-(morpholin-4-ylmethyl)-1,2,4-triazol-4-yl]-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is COc1ccc(-n2nc(-n3cnnc3CN3CCOCC3)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1.

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

The InChIKey is FAFZXVLULLALEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N8O4/c1-42-25-11-9-24(10-12-25)39-29-26(30(34-39)38-21-32-33-27(38)20-35-16-18-43-19-17-35)13-15-37(31(29)41)23-7-5-22(6-8-23)36-14-3-2-4-28(36)40/h5-12,21H,2-4,13-20H2,1H3.

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

1-(4-methoxyphenyl)-3-[3-(morpholin-4-ylmethyl)-1,2,4-triazol-4-yl]-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one has a molecular weight of 582.67 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methoxyphenyl)-3-[3-(morpholin-4-ylmethyl)-1,2,4-triazol-4-yl]-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 132938122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).