N-[5-[5-[(2S)-2-cyanocyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide

C22H18N6O2 — CID 171796825

About N-[5-[5-[(2S)-2-cyanocyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[5-[5-[(2S)-2-cyanocyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 171796825) has the molecular formula C22H18N6O2 and a molecular weight of 398.43 g/mol. Its IUPAC name is N-[5-[5-[(2S)-2-cyanocyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[5-[(2S)-2-cyanocyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 171796825
• Molecular Formula: C22H18N6O2
• Molecular Weight: 398.43 g/mol
• Exact Mass: 398.15
• IUPAC Name: N-[5-[5-[(2S)-2-cyanocyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cc1ccc(-c2noc(C3CC[C@@H]3C#N)n2)cc1NC(=O)c1cnc2ccccn12
• InChI: InChI=1S/C22H18N6O2/c1-13-5-6-14(20-26-22(30-27-20)16-8-7-15(16)11-23)10-17(13)25-21(29)18-12-24-19-4-2-3-9-28(18)19/h2-6,9-10,12,15-16H,7-8H2,1H3,(H,25,29)/t15-,16?/m1/s1
• InChIKey: RCZITYGFUPHODI-AAFJCEBUSA-N
• XLogP: 3.96
• TPSA: 109.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.43
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(2S)-2-cyanocyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-[5-[5-[(2S)-2-cyanocyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 171796825) is N-[5-[5-[(2S)-2-cyanocyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[5-[5-[(2S)-2-cyanocyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-[5-[5-[(2S)-2-cyanocyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(-c2noc(C3CC[C@@H]3C#N)n2)cc1NC(=O)c1cnc2ccccn12.

What is the InChIKey of N-[5-[5-[(2S)-2-cyanocyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is RCZITYGFUPHODI-AAFJCEBUSA-N. The full InChI is InChI=1S/C22H18N6O2/c1-13-5-6-14(20-26-22(30-27-20)16-8-7-15(16)11-23)10-17(13)25-21(29)18-12-24-19-4-2-3-9-28(18)19/h2-6,9-10,12,15-16H,7-8H2,1H3,(H,25,29)/t15-,16?/m1/s1.

What are the key properties of N-[5-[5-[(2S)-2-cyanocyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?

N-[5-[5-[(2S)-2-cyanocyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 398.43 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[5-[(2S)-2-cyanocyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 171796825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).