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

C26H29F3N4O — CID 25063584

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

2-[1-ethyl-3-methyl-4-[2-(2,3,5-trifluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide (PubChem CID 25063584) has the molecular formula C26H29F3N4O and a molecular weight of 470.54 g/mol. Its IUPAC name is 2-[1-ethyl-3-methyl-4-[2-(2,3,5-trifluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide.

Molecular Properties

• Compound Name: 2-[1-ethyl-3-methyl-4-[2-(2,3,5-trifluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide
• PubChem CID: 25063584
• Molecular Formula: C26H29F3N4O
• Molecular Weight: 470.54 g/mol
• Exact Mass: 470.23
• IUPAC Name: 2-[1-ethyl-3-methyl-4-[2-(2,3,5-trifluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide
• SMILES: CCn1nc(C)c2c1CCN(C(C(=O)NC)c1ccccc1)C2CCc1cc(F)cc(F)c1F
• InChI: InChI=1S/C26H29F3N4O/c1-4-33-22-12-13-32(25(26(34)30-3)17-8-6-5-7-9-17)21(23(22)16(2)31-33)11-10-18-14-19(27)15-20(28)24(18)29/h5-9,14-15,21,25H,4,10-13H2,1-3H3,(H,30,34)
• InChIKey: QMWVOEZHYFXNPQ-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.54
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-[1-ethyl-3-methyl-4-[2-(2,3,5-trifluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide (CID 25063584) is 2-[1-ethyl-3-methyl-4-[2-(2,3,5-trifluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide.

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

The canonical SMILES for 2-[1-ethyl-3-methyl-4-[2-(2,3,5-trifluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide is CCn1nc(C)c2c1CCN(C(C(=O)NC)c1ccccc1)C2CCc1cc(F)cc(F)c1F.

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

The InChIKey is QMWVOEZHYFXNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N4O/c1-4-33-22-12-13-32(25(26(34)30-3)17-8-6-5-7-9-17)21(23(22)16(2)31-33)11-10-18-14-19(27)15-20(28)24(18)29/h5-9,14-15,21,25H,4,10-13H2,1-3H3,(H,30,34).

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

2-[1-ethyl-3-methyl-4-[2-(2,3,5-trifluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide has a molecular weight of 470.54 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-ethyl-3-methyl-4-[2-(2,3,5-trifluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 25063584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).