N-[5-[(1S)-1-[(7-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide

C24H20FN5O2 — CID 86763927

About N-[5-[(1S)-1-[(7-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[5-[(1S)-1-[(7-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 86763927) has the molecular formula C24H20FN5O2 and a molecular weight of 429.46 g/mol. Its IUPAC name is N-[5-[(1S)-1-[(7-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(1S)-1-[(7-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 86763927
• Molecular Formula: C24H20FN5O2
• Molecular Weight: 429.46 g/mol
• Exact Mass: 429.16
• IUPAC Name: N-[5-[(1S)-1-[(7-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cc1ccc([C@H](C)Nc2nc3cccc(F)c3o2)cc1NC(=O)c1cnc2ccccn12
• InChI: InChI=1S/C24H20FN5O2/c1-14-9-10-16(15(2)27-24-29-18-7-5-6-17(25)22(18)32-24)12-19(14)28-23(31)20-13-26-21-8-3-4-11-30(20)21/h3-13,15H,1-2H3,(H,27,29)(H,28,31)/t15-/m0/s1
• InChIKey: DNYJAEBFUDWLPT-HNNXBMFYSA-N
• XLogP: 5.35
• TPSA: 84.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.46
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1S)-1-[(7-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-[5-[(1S)-1-[(7-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 86763927) is N-[5-[(1S)-1-[(7-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[5-[(1S)-1-[(7-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-[5-[(1S)-1-[(7-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc([C@H](C)Nc2nc3cccc(F)c3o2)cc1NC(=O)c1cnc2ccccn12.

What is the InChIKey of N-[5-[(1S)-1-[(7-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is DNYJAEBFUDWLPT-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H20FN5O2/c1-14-9-10-16(15(2)27-24-29-18-7-5-6-17(25)22(18)32-24)12-19(14)28-23(31)20-13-26-21-8-3-4-11-30(20)21/h3-13,15H,1-2H3,(H,27,29)(H,28,31)/t15-/m0/s1.

What are the key properties of N-[5-[(1S)-1-[(7-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?

N-[5-[(1S)-1-[(7-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 429.46 g/mol, XLogP of 5.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(1S)-1-[(7-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 86763927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).