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

C32H33F3N4O — CID 25063704

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

2-[1-benzyl-3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide (PubChem CID 25063704) has the molecular formula C32H33F3N4O and a molecular weight of 546.64 g/mol. Its IUPAC name is 2-[1-benzyl-3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide.

Molecular Properties

• Compound Name: 2-[1-benzyl-3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide
• PubChem CID: 25063704
• Molecular Formula: C32H33F3N4O
• Molecular Weight: 546.64 g/mol
• Exact Mass: 546.26
• IUPAC Name: 2-[1-benzyl-3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide
• SMILES: CNC(=O)C(c1ccccc1)N1CCc2c(c(C)nn2Cc2ccccc2)C1CCc1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C32H33F3N4O/c1-22-29-27(18-15-23-13-16-26(17-14-23)32(33,34)35)38(30(31(40)36-2)25-11-7-4-8-12-25)20-19-28(29)39(37-22)21-24-9-5-3-6-10-24/h3-14,16-17,27,30H,15,18-21H2,1-2H3,(H,36,40)
• InChIKey: UDHCRZCIVBVHPX-UHFFFAOYSA-N
• XLogP: 6.28
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.64
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-[1-benzyl-3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide (CID 25063704) is 2-[1-benzyl-3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide.

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

The canonical SMILES for 2-[1-benzyl-3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide is CNC(=O)C(c1ccccc1)N1CCc2c(c(C)nn2Cc2ccccc2)C1CCc1ccc(C(F)(F)F)cc1.

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

The InChIKey is UDHCRZCIVBVHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33F3N4O/c1-22-29-27(18-15-23-13-16-26(17-14-23)32(33,34)35)38(30(31(40)36-2)25-11-7-4-8-12-25)20-19-28(29)39(37-22)21-24-9-5-3-6-10-24/h3-14,16-17,27,30H,15,18-21H2,1-2H3,(H,36,40).

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

2-[1-benzyl-3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide has a molecular weight of 546.64 g/mol, XLogP of 6.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-benzyl-3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 25063704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).