3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-N-methyl-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxamide;3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxylic acid

C47H43Br2N11O5S2 — CID 167695028

About 3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-N-methyl-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxamide;3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxylic acid

3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-N-methyl-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxamide;3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 167695028) has the molecular formula C47H43Br2N11O5S2 and a molecular weight of 1065.87 g/mol. Its IUPAC name is 3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-N-methyl-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxamide;3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

• Compound Name: 3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-N-methyl-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxamide;3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxylic acid
• PubChem CID: 167695028
• Molecular Formula: C47H43Br2N11O5S2
• Molecular Weight: 1065.87 g/mol
• Exact Mass: 1063.13
• IUPAC Name: 3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-N-methyl-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxamide;3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxylic acid
• SMILES: CNC(=O)c1cc2nc(-c3ccccn3)n([C@@H]3CCC[C@H](NC(=O)c4ccc(Br)s4)C3)c2cn1.O=C(O)c1cc2nc(-c3ccccn3)n([C@@H]3CCC[C@H](NC(=O)c4ccc(Br)s4)C3)c2cn1
• InChI: InChI=1S/C24H23BrN6O2S.C23H20BrN5O3S/c1-26-23(32)18-12-17-19(13-28-18)31(22(30-17)16-7-2-3-10-27-16)15-6-4-5-14(11-15)29-24(33)20-8-9-21(25)34-20;24-20-8-7-19(33-20)22(30)27-13-4-3-5-14(10-13)29-18-12-26-17(23(31)32)11-16(18)28-21(29)15-6-1-2-9-25-15/h2-3,7-10,12-15H,4-6,11H2,1H3,(H,26,32)(H,29,33);1-2,6-9,11-14H,3-5,10H2,(H,27,30)(H,31,32)/t14-,15+;13-,14+/m00/s1
• InChIKey: XNFOVYKYDPWANG-XFHPXHBCSA-N
• XLogP: 9.52
• TPSA: 211.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1065.87
LogP ≤ 5	9.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-N-methyl-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxamide;3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxylic acid?

The IUPAC name of 3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-N-methyl-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxamide;3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxylic acid (CID 167695028) is 3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-N-methyl-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxamide;3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxylic acid.

What is the SMILES notation for 3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-N-methyl-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxamide;3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxylic acid?

The canonical SMILES for 3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-N-methyl-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxamide;3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxylic acid is CNC(=O)c1cc2nc(-c3ccccn3)n([C@@H]3CCC[C@H](NC(=O)c4ccc(Br)s4)C3)c2cn1.O=C(O)c1cc2nc(-c3ccccn3)n([C@@H]3CCC[C@H](NC(=O)c4ccc(Br)s4)C3)c2cn1.

What is the InChIKey of 3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-N-methyl-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxamide;3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxylic acid?

The InChIKey is XNFOVYKYDPWANG-XFHPXHBCSA-N. The full InChI is InChI=1S/C24H23BrN6O2S.C23H20BrN5O3S/c1-26-23(32)18-12-17-19(13-28-18)31(22(30-17)16-7-2-3-10-27-16)15-6-4-5-14(11-15)29-24(33)20-8-9-21(25)34-20;24-20-8-7-19(33-20)22(30)27-13-4-3-5-14(10-13)29-18-12-26-17(23(31)32)11-16(18)28-21(29)15-6-1-2-9-25-15/h2-3,7-10,12-15H,4-6,11H2,1H3,(H,26,32)(H,29,33);1-2,6-9,11-14H,3-5,10H2,(H,27,30)(H,31,32)/t14-,15+;13-,14+/m00/s1.

What are the key properties of 3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-N-methyl-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxamide;3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxylic acid?

3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-N-methyl-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxamide;3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 1065.87 g/mol, XLogP of 9.52, 10 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-N-methyl-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxamide;3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 167695028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).