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

C25H25BrN6O2S — CID 155574617

IUPAC3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-N,N-dimethyl-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxamide
SMILESCN(C)C(=O)c1cc2nc(-c3ccccn3)n([C@@H]3CCC[C@H](NC(=O)c4ccc(Br)s4)C3)c2cn1
InChIInChI=1S/C25H25BrN6O2S/c1-31(2)25(34)19-13-18-20(14-28-19)32(23(30-18)17-8-3-4-11-27-17)16-7-5-6-15(12-16)29-24(33)21-9-10-22(26)35-21/h3-4,8-11,13-16H,5-7,12H2,1-2H3,(H,29,33)/t15-,16+/m0/s1
InChIKeyWMUWXARQOXPYCS-JKSUJKDBSA-N
MW553.49 g/mol
LogP4.93
Rot. Bonds5

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

3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-N,N-dimethyl-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 155574617) has the molecular formula C25H25BrN6O2S and a molecular weight of 553.49 g/mol. Its IUPAC name is 3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-N,N-dimethyl-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-N,N-dimethyl-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxamide
PubChem CID155574617
Molecular FormulaC25H25BrN6O2S
Molecular Weight553.49 g/mol
Exact Mass552.09
IUPAC Name3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-N,N-dimethyl-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxamide
SMILESCN(C)C(=O)c1cc2nc(-c3ccccn3)n([C@@H]3CCC[C@H](NC(=O)c4ccc(Br)s4)C3)c2cn1
InChIInChI=1S/C25H25BrN6O2S/c1-31(2)25(34)19-13-18-20(14-28-19)32(23(30-18)17-8-3-4-11-27-17)16-7-5-6-15(12-16)29-24(33)21-9-10-22(26)35-21/h3-4,8-11,13-16H,5-7,12H2,1-2H3,(H,29,33)/t15-,16+/m0/s1
InChIKeyWMUWXARQOXPYCS-JKSUJKDBSA-N
XLogP4.93
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.49
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-N,N-dimethyl-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bcat-IN-1
CID 118988431
2-[2-(5-bromothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 10255760
(S)-[2-(1-Pyridin-3-yl-ethylamino)-thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-yl-methanone
CID 25230181
(+/-)-[2-(1-Pyridin-3-yl-ethylamino)-thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-yl-methanone
CID 25231166
5-bromo-N-[(1S,3R)-3-(2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide
CID 127044724
[2-(7-Methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 91800754
1-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-N-methyl-2-phenylbenzimidazole-5-carboxamide
CID 127043628
1-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide
CID 127043978
1-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-3-ylbenzimidazole-5-carboxamide
CID 127043979
1-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-N-propan-2-yl-2-pyridin-2-ylbenzimidazole-5-carboxamide
CID 127044553
1-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-N-cyclopropyl-2-pyridin-2-ylbenzimidazole-5-carboxamide
CID 127044726
(R)-[2-(1-Pyridin-3-yl-ethylamino)-thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-yl-methanone
CID 25230180

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-N,N-dimethyl-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of 3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-N,N-dimethyl-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxamide (CID 155574617) is 3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-N,N-dimethyl-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for 3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-N,N-dimethyl-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for 3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-N,N-dimethyl-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxamide is CN(C)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,N-dimethyl-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is WMUWXARQOXPYCS-JKSUJKDBSA-N. The full InChI is InChI=1S/C25H25BrN6O2S/c1-31(2)25(34)19-13-18-20(14-28-19)32(23(30-18)17-8-3-4-11-27-17)16-7-5-6-15(12-16)29-24(33)21-9-10-22(26)35-21/h3-4,8-11,13-16H,5-7,12H2,1-2H3,(H,29,33)/t15-,16+/m0/s1.
What are the key properties of 3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-N,N-dimethyl-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxamide?
3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-N,N-dimethyl-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 553.49 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-N,N-dimethyl-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 155574617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).