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

C33H35F3N4O — CID 25063736

About N-methyl-2-[3-methyl-1-(2-phenylethyl)-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-phenylethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-phenylacetamide (PubChem CID 25063736) has the molecular formula C33H35F3N4O and a molecular weight of 560.66 g/mol. Its IUPAC name is N-methyl-2-[3-methyl-1-(2-phenylethyl)-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-phenylethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-phenylacetamide
• PubChem CID: 25063736
• Molecular Formula: C33H35F3N4O
• Molecular Weight: 560.66 g/mol
• Exact Mass: 560.28
• IUPAC Name: N-methyl-2-[3-methyl-1-(2-phenylethyl)-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)nn2CCc2ccccc2)C1CCc1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C33H35F3N4O/c1-23-30-28(18-15-25-13-16-27(17-14-25)33(34,35)36)39(31(32(41)37-2)26-11-7-4-8-12-26)21-20-29(30)40(38-23)22-19-24-9-5-3-6-10-24/h3-14,16-17,28,31H,15,18-22H2,1-2H3,(H,37,41)
• InChIKey: LGSAGBPDSMHIKS-UHFFFAOYSA-N
• XLogP: 6.47
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.66
LogP ≤ 5	6.47
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-phenylethyl)-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-phenylethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-phenylacetamide (CID 25063736) is N-methyl-2-[3-methyl-1-(2-phenylethyl)-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-phenylethyl)-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-phenylethyl)-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)nn2CCc2ccccc2)C1CCc1ccc(C(F)(F)F)cc1.

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

The InChIKey is LGSAGBPDSMHIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35F3N4O/c1-23-30-28(18-15-25-13-16-27(17-14-25)33(34,35)36)39(31(32(41)37-2)26-11-7-4-8-12-26)21-20-29(30)40(38-23)22-19-24-9-5-3-6-10-24/h3-14,16-17,28,31H,15,18-22H2,1-2H3,(H,37,41).

What are the key properties of N-methyl-2-[3-methyl-1-(2-phenylethyl)-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-phenylethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-phenylacetamide has a molecular weight of 560.66 g/mol, XLogP of 6.47, 9 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-phenylethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-phenylacetamide is sourced from PubChem (CID 25063736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).