2-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxamide

C29H26F6N4O2 — CID 122188603

About 2-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxamide

2-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 122188603) has the molecular formula C29H26F6N4O2 and a molecular weight of 576.54 g/mol. Its IUPAC name is 2-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 122188603
• Molecular Formula: C29H26F6N4O2
• Molecular Weight: 576.54 g/mol
• Exact Mass: 576.20
• IUPAC Name: 2-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: Cc1nn2ccc(C(F)(F)F)cc2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1
• InChI: InChI=1S/C29H26F6N4O2/c1-18-26(25-16-22(28(30,31)32)12-15-39(25)37-18)27(40)36-17-19-2-6-23(7-3-19)38-13-10-21(11-14-38)20-4-8-24(9-5-20)41-29(33,34)35/h2-9,12,15-16,21H,10-11,13-14,17H2,1H3,(H,36,40)
• InChIKey: QBHCXRYDYKLKKQ-UHFFFAOYSA-N
• XLogP: 6.87
• TPSA: 58.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.54
LogP ≤ 5	6.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of 2-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 122188603) is 2-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for 2-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for 2-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxamide is Cc1nn2ccc(C(F)(F)F)cc2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.

What is the InChIKey of 2-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is QBHCXRYDYKLKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F6N4O2/c1-18-26(25-16-22(28(30,31)32)12-15-39(25)37-18)27(40)36-17-19-2-6-23(7-3-19)38-13-10-21(11-14-38)20-4-8-24(9-5-20)41-29(33,34)35/h2-9,12,15-16,21H,10-11,13-14,17H2,1H3,(H,36,40).

What are the key properties of 2-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxamide?

2-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 576.54 g/mol, XLogP of 6.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 122188603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).