(6R)-N-[(1S)-1,2-diphenylethyl]-6-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

C28H26FN3O — CID 93012989

About (6R)-N-[(1S)-1,2-diphenylethyl]-6-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

(6R)-N-[(1S)-1,2-diphenylethyl]-6-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 93012989) has the molecular formula C28H26FN3O and a molecular weight of 439.53 g/mol. Its IUPAC name is (6R)-N-[(1S)-1,2-diphenylethyl]-6-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: (6R)-N-[(1S)-1,2-diphenylethyl]-6-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
• PubChem CID: 93012989
• Molecular Formula: C28H26FN3O
• Molecular Weight: 439.53 g/mol
• Exact Mass: 439.21
• IUPAC Name: (6R)-N-[(1S)-1,2-diphenylethyl]-6-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
• SMILES: O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1cn2c(n1)CC[C@H](c1cccc(F)c1)C2
• InChI: InChI=1S/C28H26FN3O/c29-24-13-7-12-22(17-24)23-14-15-27-30-26(19-32(27)18-23)28(33)31-25(21-10-5-2-6-11-21)16-20-8-3-1-4-9-20/h1-13,17,19,23,25H,14-16,18H2,(H,31,33)/t23-,25-/m0/s1
• InChIKey: KKWWAEWHHDGSRH-ZCYQVOJMSA-N
• XLogP: 5.47
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.53
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (6R)-N-[(1S)-1,2-diphenylethyl]-6-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?

The IUPAC name of (6R)-N-[(1S)-1,2-diphenylethyl]-6-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (CID 93012989) is (6R)-N-[(1S)-1,2-diphenylethyl]-6-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.

What is the SMILES notation for (6R)-N-[(1S)-1,2-diphenylethyl]-6-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?

The canonical SMILES for (6R)-N-[(1S)-1,2-diphenylethyl]-6-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1cn2c(n1)CC[C@H](c1cccc(F)c1)C2.

What is the InChIKey of (6R)-N-[(1S)-1,2-diphenylethyl]-6-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?

The InChIKey is KKWWAEWHHDGSRH-ZCYQVOJMSA-N. The full InChI is InChI=1S/C28H26FN3O/c29-24-13-7-12-22(17-24)23-14-15-27-30-26(19-32(27)18-23)28(33)31-25(21-10-5-2-6-11-21)16-20-8-3-1-4-9-20/h1-13,17,19,23,25H,14-16,18H2,(H,31,33)/t23-,25-/m0/s1.

What are the key properties of (6R)-N-[(1S)-1,2-diphenylethyl]-6-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?

(6R)-N-[(1S)-1,2-diphenylethyl]-6-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 439.53 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-N-[(1S)-1,2-diphenylethyl]-6-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 93012989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).