2-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]benzonitrile

C25H18ClF3N4O2 — CID 68743738

About 2-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]benzonitrile

2-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]benzonitrile (PubChem CID 68743738) has the molecular formula C25H18ClF3N4O2 and a molecular weight of 498.89 g/mol. Its IUPAC name is 2-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]benzonitrile.

Molecular Properties

• Compound Name: 2-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]benzonitrile
• PubChem CID: 68743738
• Molecular Formula: C25H18ClF3N4O2
• Molecular Weight: 498.89 g/mol
• Exact Mass: 498.11
• IUPAC Name: 2-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]benzonitrile
• SMILES: N#Cc1ccccc1C1CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)CC1
• InChI: InChI=1S/C25H18ClF3N4O2/c26-22-21(24(34)32-8-5-15(6-9-32)19-4-2-1-3-16(19)12-30)31-23-20(25(27,28)29)11-18(13-33(22)23)17-7-10-35-14-17/h1-4,7,10-11,13-15H,5-6,8-9H2
• InChIKey: ARLZBICGRSVTEV-UHFFFAOYSA-N
• XLogP: 6.16
• TPSA: 74.54 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.89
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]benzonitrile?

The IUPAC name of 2-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]benzonitrile (CID 68743738) is 2-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]benzonitrile.

What is the SMILES notation for 2-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]benzonitrile?

The canonical SMILES for 2-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]benzonitrile is N#Cc1ccccc1C1CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)CC1.

What is the InChIKey of 2-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]benzonitrile?

The InChIKey is ARLZBICGRSVTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClF3N4O2/c26-22-21(24(34)32-8-5-15(6-9-32)19-4-2-1-3-16(19)12-30)31-23-20(25(27,28)29)11-18(13-33(22)23)17-7-10-35-14-17/h1-4,7,10-11,13-15H,5-6,8-9H2.

What are the key properties of 2-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]benzonitrile?

2-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]benzonitrile has a molecular weight of 498.89 g/mol, XLogP of 6.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]benzonitrile is sourced from PubChem (CID 68743738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).