6-chloro-N-[[3-fluoro-4-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]phenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide

C28H22ClF7N4O2 — CID 163202391

About 6-chloro-N-[[3-fluoro-4-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]phenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide

6-chloro-N-[[3-fluoro-4-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]phenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 163202391) has the molecular formula C28H22ClF7N4O2 and a molecular weight of 614.95 g/mol. Its IUPAC name is 6-chloro-N-[[3-fluoro-4-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]phenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-N-[[3-fluoro-4-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]phenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 163202391
• Molecular Formula: C28H22ClF7N4O2
• Molecular Weight: 614.95 g/mol
• Exact Mass: 614.13
• IUPAC Name: 6-chloro-N-[[3-fluoro-4-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]phenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: O=C(NCc1ccc(C2CCN(c3ccc(OC(F)(F)F)cc3)CC2)c(F)c1)c1c(C(F)(F)F)nc2ccc(Cl)cn12
• InChI: InChI=1S/C28H22ClF7N4O2/c29-18-2-8-23-38-25(27(31,32)33)24(40(23)15-18)26(41)37-14-16-1-7-21(22(30)13-16)17-9-11-39(12-10-17)19-3-5-20(6-4-19)42-28(34,35)36/h1-8,13,15,17H,9-12,14H2,(H,37,41)
• InChIKey: NSGJQZMBACBIJX-UHFFFAOYSA-N
• XLogP: 7.36
• TPSA: 58.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	614.95
LogP ≤ 5	7.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[3-fluoro-4-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]phenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 6-chloro-N-[[3-fluoro-4-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]phenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 163202391) is 6-chloro-N-[[3-fluoro-4-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]phenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 6-chloro-N-[[3-fluoro-4-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]phenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 6-chloro-N-[[3-fluoro-4-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]phenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide is O=C(NCc1ccc(C2CCN(c3ccc(OC(F)(F)F)cc3)CC2)c(F)c1)c1c(C(F)(F)F)nc2ccc(Cl)cn12.

What is the InChIKey of 6-chloro-N-[[3-fluoro-4-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]phenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is NSGJQZMBACBIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClF7N4O2/c29-18-2-8-23-38-25(27(31,32)33)24(40(23)15-18)26(41)37-14-16-1-7-21(22(30)13-16)17-9-11-39(12-10-17)19-3-5-20(6-4-19)42-28(34,35)36/h1-8,13,15,17H,9-12,14H2,(H,37,41).

What are the key properties of 6-chloro-N-[[3-fluoro-4-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]phenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?

6-chloro-N-[[3-fluoro-4-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]phenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 614.95 g/mol, XLogP of 7.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[[3-fluoro-4-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]phenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 163202391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).