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

C28H29N7O4 — CID 134151522

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

3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-1-(4-methoxyphenyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (PubChem CID 134151522) has the molecular formula C28H29N7O4 and a molecular weight of 527.59 g/mol. Its IUPAC name is 3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-1-(4-methoxyphenyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

• Compound Name: 3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-1-(4-methoxyphenyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
• PubChem CID: 134151522
• Molecular Formula: C28H29N7O4
• Molecular Weight: 527.59 g/mol
• Exact Mass: 527.23
• IUPAC Name: 3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-1-(4-methoxyphenyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
• SMILES: COCc1nc(-c2nn(-c3ccc(OC)cc3)c3c2CCN(c2ccc(N4CCCCC4=O)cc2)C3=O)n[nH]1
• InChI: InChI=1S/C28H29N7O4/c1-38-17-23-29-27(31-30-23)25-22-14-16-34(19-8-6-18(7-9-19)33-15-4-3-5-24(33)36)28(37)26(22)35(32-25)20-10-12-21(39-2)13-11-20/h6-13H,3-5,14-17H2,1-2H3,(H,29,30,31)
• InChIKey: WZMHLWYUZHJFSA-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 118.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.59
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-1-(4-methoxyphenyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (CID 134151522) is 3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-1-(4-methoxyphenyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

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

The canonical SMILES for 3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-1-(4-methoxyphenyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is COCc1nc(-c2nn(-c3ccc(OC)cc3)c3c2CCN(c2ccc(N4CCCCC4=O)cc2)C3=O)n[nH]1.

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

The InChIKey is WZMHLWYUZHJFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O4/c1-38-17-23-29-27(31-30-23)25-22-14-16-34(19-8-6-18(7-9-19)33-15-4-3-5-24(33)36)28(37)26(22)35(32-25)20-10-12-21(39-2)13-11-20/h6-13H,3-5,14-17H2,1-2H3,(H,29,30,31).

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

3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-1-(4-methoxyphenyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one has a molecular weight of 527.59 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-1-(4-methoxyphenyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 134151522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).