(2R)-6-(4-cyano-4-methylpiperidin-1-yl)-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-methyl-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide

C25H27F4N5O — CID 177158093

About (2R)-6-(4-cyano-4-methylpiperidin-1-yl)-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-methyl-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide

(2R)-6-(4-cyano-4-methylpiperidin-1-yl)-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-methyl-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 177158093) has the molecular formula C25H27F4N5O and a molecular weight of 489.52 g/mol. Its IUPAC name is (2R)-6-(4-cyano-4-methylpiperidin-1-yl)-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-methyl-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

• Compound Name: (2R)-6-(4-cyano-4-methylpiperidin-1-yl)-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-methyl-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide
• PubChem CID: 177158093
• Molecular Formula: C25H27F4N5O
• Molecular Weight: 489.52 g/mol
• Exact Mass: 489.22
• IUPAC Name: (2R)-6-(4-cyano-4-methylpiperidin-1-yl)-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-methyl-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide
• SMILES: C[C@@H]1CN2C=C(N3CCC(C)(C#N)CC3)C=C(C(=O)N[C@H](C)c3cccc(C(F)(F)F)c3F)C2=N1
• InChI: InChI=1S/C25H27F4N5O/c1-15-12-34-13-17(33-9-7-24(3,14-30)8-10-33)11-19(22(34)31-15)23(35)32-16(2)18-5-4-6-20(21(18)26)25(27,28)29/h4-6,11,13,15-16H,7-10,12H2,1-3H3,(H,32,35)/t15-,16-/m1/s1
• InChIKey: ROTKPGVSOXGNGM-HZPDHXFCSA-N
• XLogP: 4.53
• TPSA: 71.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.52
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-6-(4-cyano-4-methylpiperidin-1-yl)-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-methyl-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide?

The IUPAC name of (2R)-6-(4-cyano-4-methylpiperidin-1-yl)-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-methyl-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide (CID 177158093) is (2R)-6-(4-cyano-4-methylpiperidin-1-yl)-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-methyl-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide.

What is the SMILES notation for (2R)-6-(4-cyano-4-methylpiperidin-1-yl)-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-methyl-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide?

The canonical SMILES for (2R)-6-(4-cyano-4-methylpiperidin-1-yl)-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-methyl-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide is C[C@@H]1CN2C=C(N3CCC(C)(C#N)CC3)C=C(C(=O)N[C@H](C)c3cccc(C(F)(F)F)c3F)C2=N1.

What is the InChIKey of (2R)-6-(4-cyano-4-methylpiperidin-1-yl)-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-methyl-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide?

The InChIKey is ROTKPGVSOXGNGM-HZPDHXFCSA-N. The full InChI is InChI=1S/C25H27F4N5O/c1-15-12-34-13-17(33-9-7-24(3,14-30)8-10-33)11-19(22(34)31-15)23(35)32-16(2)18-5-4-6-20(21(18)26)25(27,28)29/h4-6,11,13,15-16H,7-10,12H2,1-3H3,(H,32,35)/t15-,16-/m1/s1.

What are the key properties of (2R)-6-(4-cyano-4-methylpiperidin-1-yl)-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-methyl-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide?

(2R)-6-(4-cyano-4-methylpiperidin-1-yl)-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-methyl-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 489.52 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-6-(4-cyano-4-methylpiperidin-1-yl)-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-methyl-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 177158093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).