N-methyl-2-[3-methyl-1-(2,2,2-trifluoroethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-phenylacetamide

C27H28F6N4O — CID 25063737

About N-methyl-2-[3-methyl-1-(2,2,2-trifluoroethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-phenylacetamide

N-methyl-2-[3-methyl-1-(2,2,2-trifluoroethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-phenylacetamide (PubChem CID 25063737) has the molecular formula C27H28F6N4O and a molecular weight of 538.54 g/mol. Its IUPAC name is N-methyl-2-[3-methyl-1-(2,2,2-trifluoroethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-methyl-2-[3-methyl-1-(2,2,2-trifluoroethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-phenylacetamide
• PubChem CID: 25063737
• Molecular Formula: C27H28F6N4O
• Molecular Weight: 538.54 g/mol
• Exact Mass: 538.22
• IUPAC Name: N-methyl-2-[3-methyl-1-(2,2,2-trifluoroethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-phenylacetamide
• SMILES: CNC(=O)C(c1ccccc1)N1CCc2c(c(C)nn2CC(F)(F)F)C1CCc1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C27H28F6N4O/c1-17-23-21(13-10-18-8-11-20(12-9-18)27(31,32)33)36(15-14-22(23)37(35-17)16-26(28,29)30)24(25(38)34-2)19-6-4-3-5-7-19/h3-9,11-12,21,24H,10,13-16H2,1-2H3,(H,34,38)
• InChIKey: DVDMMZQRCLIXCE-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.54
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-methyl-1-(2,2,2-trifluoroethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-phenylacetamide?

The IUPAC name of N-methyl-2-[3-methyl-1-(2,2,2-trifluoroethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-phenylacetamide (CID 25063737) is N-methyl-2-[3-methyl-1-(2,2,2-trifluoroethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-phenylacetamide.

What is the SMILES notation for N-methyl-2-[3-methyl-1-(2,2,2-trifluoroethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-phenylacetamide?

The canonical SMILES for N-methyl-2-[3-methyl-1-(2,2,2-trifluoroethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-phenylacetamide is CNC(=O)C(c1ccccc1)N1CCc2c(c(C)nn2CC(F)(F)F)C1CCc1ccc(C(F)(F)F)cc1.

What is the InChIKey of N-methyl-2-[3-methyl-1-(2,2,2-trifluoroethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-phenylacetamide?

The InChIKey is DVDMMZQRCLIXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F6N4O/c1-17-23-21(13-10-18-8-11-20(12-9-18)27(31,32)33)36(15-14-22(23)37(35-17)16-26(28,29)30)24(25(38)34-2)19-6-4-3-5-7-19/h3-9,11-12,21,24H,10,13-16H2,1-2H3,(H,34,38).

What are the key properties of N-methyl-2-[3-methyl-1-(2,2,2-trifluoroethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-phenylacetamide?

N-methyl-2-[3-methyl-1-(2,2,2-trifluoroethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-phenylacetamide has a molecular weight of 538.54 g/mol, XLogP of 5.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-2-[3-methyl-1-(2,2,2-trifluoroethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-phenylacetamide is sourced from PubChem (CID 25063737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).