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

C27H26F3N5O2 — CID 44581665

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

1-(4-methoxyphenyl)-6-[4-[1-(1-methyl-4,5-dihydroimidazol-2-yl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (PubChem CID 44581665) has the molecular formula C27H26F3N5O2 and a molecular weight of 509.53 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-6-[4-[1-(1-methyl-4,5-dihydroimidazol-2-yl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

• Compound Name: 1-(4-methoxyphenyl)-6-[4-[1-(1-methyl-4,5-dihydroimidazol-2-yl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
• PubChem CID: 44581665
• Molecular Formula: C27H26F3N5O2
• Molecular Weight: 509.53 g/mol
• Exact Mass: 509.20
• IUPAC Name: 1-(4-methoxyphenyl)-6-[4-[1-(1-methyl-4,5-dihydroimidazol-2-yl)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(C5=NCCN5C)CC4)cc2)CC3)cc1
• InChI: InChI=1S/C27H26F3N5O2/c1-33-16-14-31-25(33)26(12-13-26)17-3-5-18(6-4-17)34-15-11-21-22(24(34)36)35(32-23(21)27(28,29)30)19-7-9-20(37-2)10-8-19/h3-10H,11-16H2,1-2H3
• InChIKey: VQJHPNQGVHAXFW-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 62.96 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.53
LogP ≤ 5	4.48
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-(1-methyl-4,5-dihydroimidazol-2-yl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?

The IUPAC name of 1-(4-methoxyphenyl)-6-[4-[1-(1-methyl-4,5-dihydroimidazol-2-yl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (CID 44581665) is 1-(4-methoxyphenyl)-6-[4-[1-(1-methyl-4,5-dihydroimidazol-2-yl)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-(1-methyl-4,5-dihydroimidazol-2-yl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?

The canonical SMILES for 1-(4-methoxyphenyl)-6-[4-[1-(1-methyl-4,5-dihydroimidazol-2-yl)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(C5=NCCN5C)CC4)cc2)CC3)cc1.

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

The InChIKey is VQJHPNQGVHAXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F3N5O2/c1-33-16-14-31-25(33)26(12-13-26)17-3-5-18(6-4-17)34-15-11-21-22(24(34)36)35(32-23(21)27(28,29)30)19-7-9-20(37-2)10-8-19/h3-10H,11-16H2,1-2H3.

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

1-(4-methoxyphenyl)-6-[4-[1-(1-methyl-4,5-dihydroimidazol-2-yl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one has a molecular weight of 509.53 g/mol, XLogP of 4.48, 5 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-(1-methyl-4,5-dihydroimidazol-2-yl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 44581665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).