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

C25H21Cl2N5O2S — CID 67081042

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

N-[[(1S,3S,5S)-2-[5-(2,3-dichlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67081042) has the molecular formula C25H21Cl2N5O2S and a molecular weight of 526.45 g/mol. Its IUPAC name is N-[[(1S,3S,5S)-2-[5-(2,3-dichlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[(1S,3S,5S)-2-[5-(2,3-dichlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 67081042
• Molecular Formula: C25H21Cl2N5O2S
• Molecular Weight: 526.45 g/mol
• Exact Mass: 525.08
• IUPAC Name: N-[[(1S,3S,5S)-2-[5-(2,3-dichlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cc1nc(C(=O)N2[C@H](CNC(=O)c3cnc4ccccn34)C[C@@H]3C[C@@H]32)c(-c2cccc(Cl)c2Cl)s1
• InChI: InChI=1S/C25H21Cl2N5O2S/c1-13-30-22(23(35-13)16-5-4-6-17(26)21(16)27)25(34)32-15(9-14-10-18(14)32)11-29-24(33)19-12-28-20-7-2-3-8-31(19)20/h2-8,12,14-15,18H,9-11H2,1H3,(H,29,33)/t14-,15+,18+/m1/s1
• InChIKey: JSZULGYDCJZPOF-VKJFTORMSA-N
• XLogP: 5.11
• TPSA: 79.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.45
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[[(1S,3S,5S)-2-[5-(2,3-dichlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 67081042) is N-[[(1S,3S,5S)-2-[5-(2,3-dichlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

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

The canonical SMILES for N-[[(1S,3S,5S)-2-[5-(2,3-dichlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1nc(C(=O)N2[C@H](CNC(=O)c3cnc4ccccn34)C[C@@H]3C[C@@H]32)c(-c2cccc(Cl)c2Cl)s1.

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

The InChIKey is JSZULGYDCJZPOF-VKJFTORMSA-N. The full InChI is InChI=1S/C25H21Cl2N5O2S/c1-13-30-22(23(35-13)16-5-4-6-17(26)21(16)27)25(34)32-15(9-14-10-18(14)32)11-29-24(33)19-12-28-20-7-2-3-8-31(19)20/h2-8,12,14-15,18H,9-11H2,1H3,(H,29,33)/t14-,15+,18+/m1/s1.

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

N-[[(1S,3S,5S)-2-[5-(2,3-dichlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 526.45 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(1S,3S,5S)-2-[5-(2,3-dichlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67081042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).