N-[[2-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride

C29H29ClF4N4O2 — CID 163201936

About N-[[2-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride

N-[[2-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride (PubChem CID 163201936) has the molecular formula C29H29ClF4N4O2 and a molecular weight of 577.02 g/mol. Its IUPAC name is N-[[2-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[[2-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
• PubChem CID: 163201936
• Molecular Formula: C29H29ClF4N4O2
• Molecular Weight: 577.02 g/mol
• Exact Mass: 576.19
• IUPAC Name: N-[[2-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
• SMILES: Cc1ccn2c(C(=O)NCc3ccc(N4CCC(c5ccc(OC(F)(F)F)cc5)CC4)cc3F)c(C)nc2c1.Cl
• InChI: InChI=1S/C29H28F4N4O2.ClH/c1-18-9-14-37-26(15-18)35-19(2)27(37)28(38)34-17-22-3-6-23(16-25(22)30)36-12-10-21(11-13-36)20-4-7-24(8-5-20)39-29(31,32)33;/h3-9,14-16,21H,10-13,17H2,1-2H3,(H,34,38);1H
• InChIKey: BWCOQQPHJPMKGF-UHFFFAOYSA-N
• XLogP: 6.72
• TPSA: 58.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.02
LogP ≤ 5	6.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride?

The IUPAC name of N-[[2-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride (CID 163201936) is N-[[2-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride.

What is the SMILES notation for N-[[2-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride?

The canonical SMILES for N-[[2-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride is Cc1ccn2c(C(=O)NCc3ccc(N4CCC(c5ccc(OC(F)(F)F)cc5)CC4)cc3F)c(C)nc2c1.Cl.

What is the InChIKey of N-[[2-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride?

The InChIKey is BWCOQQPHJPMKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F4N4O2.ClH/c1-18-9-14-37-26(15-18)35-19(2)27(37)28(38)34-17-22-3-6-23(16-25(22)30)36-12-10-21(11-13-36)20-4-7-24(8-5-20)39-29(31,32)33;/h3-9,14-16,21H,10-13,17H2,1-2H3,(H,34,38);1H.

What are the key properties of N-[[2-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride?

N-[[2-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride has a molecular weight of 577.02 g/mol, XLogP of 6.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 163201936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).