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

C28H26F3N5O2 — CID 44593414

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

1-(4-methoxyphenyl)-6-[4-[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (PubChem CID 44593414) has the molecular formula C28H26F3N5O2 and a molecular weight of 521.54 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-6-[4-[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

• Compound Name: 1-(4-methoxyphenyl)-6-[4-[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
• PubChem CID: 44593414
• Molecular Formula: C28H26F3N5O2
• Molecular Weight: 521.54 g/mol
• Exact Mass: 521.20
• IUPAC Name: 1-(4-methoxyphenyl)-6-[4-[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
• SMILES: COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(Cn5ccnc5C)CC4)cc2)CC3)cc1
• InChI: InChI=1S/C28H26F3N5O2/c1-18-32-14-16-34(18)17-27(12-13-27)19-3-5-20(6-4-19)35-15-11-23-24(26(35)37)36(33-25(23)28(29,30)31)21-7-9-22(38-2)10-8-21/h3-10,14,16H,11-13,15,17H2,1-2H3
• InChIKey: ZDHSUHHKRRWGLY-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 65.18 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.54
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-(4-methoxyphenyl)-6-[4-[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (CID 44593414) is 1-(4-methoxyphenyl)-6-[4-[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

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

The canonical SMILES for 1-(4-methoxyphenyl)-6-[4-[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(Cn5ccnc5C)CC4)cc2)CC3)cc1.

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

The InChIKey is ZDHSUHHKRRWGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F3N5O2/c1-18-32-14-16-34(18)17-27(12-13-27)19-3-5-20(6-4-19)35-15-11-23-24(26(35)37)36(33-25(23)28(29,30)31)21-7-9-22(38-2)10-8-21/h3-10,14,16H,11-13,15,17H2,1-2H3.

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

1-(4-methoxyphenyl)-6-[4-[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one has a molecular weight of 521.54 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methoxyphenyl)-6-[4-[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 44593414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).