(2R)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-6-(3-methylsulfonylphenyl)-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide

C25H24F3N3O3S — CID 177158148

About (2R)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-6-(3-methylsulfonylphenyl)-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide

(2R)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-6-(3-methylsulfonylphenyl)-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 177158148) has the molecular formula C25H24F3N3O3S and a molecular weight of 503.55 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-6-(3-methylsulfonylphenyl)-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-6-(3-methylsulfonylphenyl)-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide
• PubChem CID: 177158148
• Molecular Formula: C25H24F3N3O3S
• Molecular Weight: 503.55 g/mol
• Exact Mass: 503.15
• IUPAC Name: (2R)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-6-(3-methylsulfonylphenyl)-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide
• SMILES: C[C@@H]1CN2C=C(c3cccc(S(C)(=O)=O)c3)C=C(C(=O)N[C@H](C)c3cccc(C(F)F)c3F)C2=N1
• InChI: InChI=1S/C25H24F3N3O3S/c1-14-12-31-13-17(16-6-4-7-18(10-16)35(3,33)34)11-21(24(31)29-14)25(32)30-15(2)19-8-5-9-20(22(19)26)23(27)28/h4-11,13-15,23H,12H2,1-3H3,(H,30,32)/t14-,15-/m1/s1
• InChIKey: BFYGCUDQXDPLPX-HUUCEWRRSA-N
• XLogP: 4.43
• TPSA: 78.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.55
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-6-(3-methylsulfonylphenyl)-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide?

The IUPAC name of (2R)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-6-(3-methylsulfonylphenyl)-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide (CID 177158148) is (2R)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-6-(3-methylsulfonylphenyl)-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide.

What is the SMILES notation for (2R)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-6-(3-methylsulfonylphenyl)-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide?

The canonical SMILES for (2R)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-6-(3-methylsulfonylphenyl)-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide is C[C@@H]1CN2C=C(c3cccc(S(C)(=O)=O)c3)C=C(C(=O)N[C@H](C)c3cccc(C(F)F)c3F)C2=N1.

What is the InChIKey of (2R)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-6-(3-methylsulfonylphenyl)-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide?

The InChIKey is BFYGCUDQXDPLPX-HUUCEWRRSA-N. The full InChI is InChI=1S/C25H24F3N3O3S/c1-14-12-31-13-17(16-6-4-7-18(10-16)35(3,33)34)11-21(24(31)29-14)25(32)30-15(2)19-8-5-9-20(22(19)26)23(27)28/h4-11,13-15,23H,12H2,1-3H3,(H,30,32)/t14-,15-/m1/s1.

What are the key properties of (2R)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-6-(3-methylsulfonylphenyl)-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide?

(2R)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-6-(3-methylsulfonylphenyl)-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 503.55 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-6-(3-methylsulfonylphenyl)-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 177158148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).