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

C29H27F3N4O2 — CID 10208201

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

6-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (PubChem CID 10208201) has the molecular formula C29H27F3N4O2 and a molecular weight of 520.56 g/mol. Its IUPAC name is 6-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

• Compound Name: 6-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
• PubChem CID: 10208201
• Molecular Formula: C29H27F3N4O2
• Molecular Weight: 520.56 g/mol
• Exact Mass: 520.21
• IUPAC Name: 6-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
• SMILES: COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4CN(C)C)cc2)CC3)cc1
• InChI: InChI=1S/C29H27F3N4O2/c1-34(2)18-20-6-4-5-7-24(20)19-8-10-21(11-9-19)35-17-16-25-26(28(35)37)36(33-27(25)29(30,31)32)22-12-14-23(38-3)15-13-22/h4-15H,16-18H2,1-3H3
• InChIKey: PCNAVRSNEWRPLH-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 50.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.56
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (CID 10208201) is 6-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

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

The canonical SMILES for 6-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4CN(C)C)cc2)CC3)cc1.

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

The InChIKey is PCNAVRSNEWRPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F3N4O2/c1-34(2)18-20-6-4-5-7-24(20)19-8-10-21(11-9-19)35-17-16-25-26(28(35)37)36(33-27(25)29(30,31)32)22-12-14-23(38-3)15-13-22/h4-15H,16-18H2,1-3H3.

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

6-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one has a molecular weight of 520.56 g/mol, XLogP of 5.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 10208201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).