(3S)-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3,5,5-trimethylhexanamide

C22H26FN3O — CID 93016867

About (3S)-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3,5,5-trimethylhexanamide

(3S)-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3,5,5-trimethylhexanamide (PubChem CID 93016867) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is (3S)-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3,5,5-trimethylhexanamide.

Molecular Properties

• Compound Name: (3S)-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3,5,5-trimethylhexanamide
• PubChem CID: 93016867
• Molecular Formula: C22H26FN3O
• Molecular Weight: 367.47 g/mol
• Exact Mass: 367.21
• IUPAC Name: (3S)-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3,5,5-trimethylhexanamide
• SMILES: C[C@H](CC(=O)Nc1c(-c2ccc(F)cc2)nc2ccccn12)CC(C)(C)C
• InChI: InChI=1S/C22H26FN3O/c1-15(14-22(2,3)4)13-19(27)25-21-20(16-8-10-17(23)11-9-16)24-18-7-5-6-12-26(18)21/h5-12,15H,13-14H2,1-4H3,(H,25,27)/t15-/m1/s1
• InChIKey: XHQGHGSFKSRTHE-OAHLLOKOSA-N
• XLogP: 5.54
• TPSA: 46.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	367.47
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3,5,5-trimethylhexanamide?

The IUPAC name of (3S)-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3,5,5-trimethylhexanamide (CID 93016867) is (3S)-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3,5,5-trimethylhexanamide.

What is the SMILES notation for (3S)-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3,5,5-trimethylhexanamide?

The canonical SMILES for (3S)-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3,5,5-trimethylhexanamide is C[C@H](CC(=O)Nc1c(-c2ccc(F)cc2)nc2ccccn12)CC(C)(C)C.

What is the InChIKey of (3S)-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3,5,5-trimethylhexanamide?

The InChIKey is XHQGHGSFKSRTHE-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H26FN3O/c1-15(14-22(2,3)4)13-19(27)25-21-20(16-8-10-17(23)11-9-16)24-18-7-5-6-12-26(18)21/h5-12,15H,13-14H2,1-4H3,(H,25,27)/t15-/m1/s1.

What are the key properties of (3S)-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3,5,5-trimethylhexanamide?

(3S)-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3,5,5-trimethylhexanamide has a molecular weight of 367.47 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3,5,5-trimethylhexanamide is sourced from PubChem (CID 93016867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).