2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperidin-1-yl]phenyl]methyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide

C30H31F3N4O2 — CID 121442132

About 2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperidin-1-yl]phenyl]methyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide

2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperidin-1-yl]phenyl]methyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 121442132) has the molecular formula C30H31F3N4O2 and a molecular weight of 536.60 g/mol. Its IUPAC name is 2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperidin-1-yl]phenyl]methyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperidin-1-yl]phenyl]methyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 121442132
• Molecular Formula: C30H31F3N4O2
• Molecular Weight: 536.60 g/mol
• Exact Mass: 536.24
• IUPAC Name: 2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperidin-1-yl]phenyl]methyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CCc1nc2c(C(F)(F)F)cccn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC)cc3)CC2)cc1
• InChI: InChI=1S/C30H31F3N4O2/c1-3-26-27(37-16-4-5-25(28(37)35-26)30(31,32)33)29(38)34-19-20-6-10-23(11-7-20)36-17-14-22(15-18-36)21-8-12-24(39-2)13-9-21/h4-13,16,22H,3,14-15,17-19H2,1-2H3,(H,34,38)
• InChIKey: CJAGPZVNHCGBTM-UHFFFAOYSA-N
• XLogP: 6.24
• TPSA: 58.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.60
LogP ≤ 5	6.24
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-ethyl-N-[[4-[4-(4-methoxyphenyl)piperidin-1-yl]phenyl]methyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperidin-1-yl]phenyl]methyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 121442132) is 2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperidin-1-yl]phenyl]methyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperidin-1-yl]phenyl]methyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperidin-1-yl]phenyl]methyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2c(C(F)(F)F)cccn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC)cc3)CC2)cc1.

What is the InChIKey of 2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperidin-1-yl]phenyl]methyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is CJAGPZVNHCGBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F3N4O2/c1-3-26-27(37-16-4-5-25(28(37)35-26)30(31,32)33)29(38)34-19-20-6-10-23(11-7-20)36-17-14-22(15-18-36)21-8-12-24(39-2)13-9-21/h4-13,16,22H,3,14-15,17-19H2,1-2H3,(H,34,38).

What are the key properties of 2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperidin-1-yl]phenyl]methyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?

2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperidin-1-yl]phenyl]methyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 536.60 g/mol, XLogP of 6.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperidin-1-yl]phenyl]methyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 121442132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).