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

C28H26Cl2F4N4O2 — CID 163202004

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

7-chloro-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride (PubChem CID 163202004) has the molecular formula C28H26Cl2F4N4O2 and a molecular weight of 597.44 g/mol. Its IUPAC name is 7-chloro-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 7-chloro-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
• PubChem CID: 163202004
• Molecular Formula: C28H26Cl2F4N4O2
• Molecular Weight: 597.44 g/mol
• Exact Mass: 596.14
• IUPAC Name: 7-chloro-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
• SMILES: Cc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)c(F)c1.Cl
• InChI: InChI=1S/C28H25ClF4N4O2.ClH/c1-17-26(37-13-10-21(29)15-25(37)35-17)27(38)34-16-18-2-7-24(23(30)14-18)36-11-8-20(9-12-36)19-3-5-22(6-4-19)39-28(31,32)33;/h2-7,10,13-15,20H,8-9,11-12,16H2,1H3,(H,34,38);1H
• InChIKey: WHVAYVOMZBQLGA-UHFFFAOYSA-N
• XLogP: 7.07
• 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	597.44
LogP ≤ 5	7.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 7-chloro-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride (CID 163202004) is 7-chloro-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride.

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

The canonical SMILES for 7-chloro-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride is Cc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)c(F)c1.Cl.

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

The InChIKey is WHVAYVOMZBQLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClF4N4O2.ClH/c1-17-26(37-13-10-21(29)15-25(37)35-17)27(38)34-16-18-2-7-24(23(30)14-18)36-11-8-20(9-12-36)19-3-5-22(6-4-19)39-28(31,32)33;/h2-7,10,13-15,20H,8-9,11-12,16H2,1H3,(H,34,38);1H.

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

7-chloro-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride has a molecular weight of 597.44 g/mol, XLogP of 7.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 163202004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).