N-[[(1R,2S,5S)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

C26H25N5O2S — CID 24816052

About N-[[(1R,2S,5S)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[[(1R,2S,5S)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 24816052) has the molecular formula C26H25N5O2S and a molecular weight of 471.59 g/mol. Its IUPAC name is N-[[(1R,2S,5S)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[(1R,2S,5S)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 24816052
• Molecular Formula: C26H25N5O2S
• Molecular Weight: 471.59 g/mol
• Exact Mass: 471.17
• IUPAC Name: N-[[(1R,2S,5S)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cc1cccc(-c2sc(C)nc2C(=O)N2C[C@H]3C[C@H]3[C@H]2CNC(=O)c2cnc3ccccn23)c1
• InChI: InChI=1S/C26H25N5O2S/c1-15-6-5-7-17(10-15)24-23(29-16(2)34-24)26(33)31-14-18-11-19(18)20(31)12-28-25(32)21-13-27-22-8-3-4-9-30(21)22/h3-10,13,18-20H,11-12,14H2,1-2H3,(H,28,32)/t18-,19-,20-/m1/s1
• InChIKey: FBEHKBFIUFOELN-VAMGGRTRSA-N
• XLogP: 3.97
• TPSA: 79.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.59
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2S,5S)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-[[(1R,2S,5S)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 24816052) is N-[[(1R,2S,5S)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[[(1R,2S,5S)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-[[(1R,2S,5S)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1cccc(-c2sc(C)nc2C(=O)N2C[C@H]3C[C@H]3[C@H]2CNC(=O)c2cnc3ccccn23)c1.

What is the InChIKey of N-[[(1R,2S,5S)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is FBEHKBFIUFOELN-VAMGGRTRSA-N. The full InChI is InChI=1S/C26H25N5O2S/c1-15-6-5-7-17(10-15)24-23(29-16(2)34-24)26(33)31-14-18-11-19(18)20(31)12-28-25(32)21-13-27-22-8-3-4-9-30(21)22/h3-10,13,18-20H,11-12,14H2,1-2H3,(H,28,32)/t18-,19-,20-/m1/s1.

What are the key properties of N-[[(1R,2S,5S)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

N-[[(1R,2S,5S)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 471.59 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(1R,2S,5S)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 24816052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).