bis(N-(2-amino-3-pyridinyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid;pyridine-2,3-diamine

C66H53N21O4S3 — CID 159235428

IUPACbis(N-(2-amino-3-pyridinyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid;pyridine-2,3-diamine
SMILESNc1cccnc1N.Nc1ncccc1NC(=O)c1ccc(Nc2nc(-c3cnc4ccccn34)cs2)cc1.Nc1ncccc1NC(=O)c1ccc(Nc2nc(-c3cnc4ccccn34)cs2)cc1.O=C(O)c1ccc(Nc2nc(-c3cnc4ccccn34)cs2)cc1
InChIInChI=1S/2C22H17N7OS.C17H12N4O2S.C5H7N3/c2*23-20-16(4-3-10-24-20)27-21(30)14-6-8-15(9-7-14)26-22-28-17(13-31-22)18-12-25-19-5-1-2-11-29(18)19;22-16(23)11-4-6-12(7-5-11)19-17-20-13(10-24-17)14-9-18-15-3-1-2-8-21(14)15;6-4-2-1-3-8-5(4)7/h2*1-13H,(H2,23,24)(H,26,28)(H,27,30);1-10H,(H,19,20)(H,22,23);1-3H,6H2,(H2,7,8)
InChIKeyKTKIPYCLIRDECM-UHFFFAOYSA-N
MW1300.49 g/mol
LogP13.01
Rot. Bonds14

About bis(N-(2-amino-3-pyridinyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid;pyridine-2,3-diamine

bis(N-(2-amino-3-pyridinyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid;pyridine-2,3-diamine (PubChem CID 159235428) has the molecular formula C66H53N21O4S3 and a molecular weight of 1300.49 g/mol. Its IUPAC name is bis(N-(2-amino-3-pyridinyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid;pyridine-2,3-diamine.

Molecular Properties

Compound Namebis(N-(2-amino-3-pyridinyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid;pyridine-2,3-diamine
PubChem CID159235428
Molecular FormulaC66H53N21O4S3
Molecular Weight1300.49 g/mol
Exact Mass1299.38
IUPAC Namebis(N-(2-amino-3-pyridinyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid;pyridine-2,3-diamine
SMILESNc1cccnc1N.Nc1ncccc1NC(=O)c1ccc(Nc2nc(-c3cnc4ccccn34)cs2)cc1.Nc1ncccc1NC(=O)c1ccc(Nc2nc(-c3cnc4ccccn34)cs2)cc1.O=C(O)c1ccc(Nc2nc(-c3cnc4ccccn34)cs2)cc1
InChIInChI=1S/2C22H17N7OS.C17H12N4O2S.C5H7N3/c2*23-20-16(4-3-10-24-20)27-21(30)14-6-8-15(9-7-14)26-22-28-17(13-31-22)18-12-25-19-5-1-2-11-29(18)19;22-16(23)11-4-6-12(7-5-11)19-17-20-13(10-24-17)14-9-18-15-3-1-2-8-21(14)15;6-4-2-1-3-8-5(4)7/h2*1-13H,(H2,23,24)(H,26,28)(H,27,30);1-10H,(H,19,20)(H,22,23);1-3H,6H2,(H2,7,8)
InChIKeyKTKIPYCLIRDECM-UHFFFAOYSA-N
XLogP13.01
TPSA364.91 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds14
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001300.49
LogP ≤ 513.01
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

Analyze bis(N-(2-amino-3-pyridinyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid;pyridine-2,3-diamine with MolForge

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Related Compounds

4-[4-(2-Methyl-imidazo[1,2-a]pyridin-3-yl)-thiazol-2-ylamino]-benzoic acid
CID 697299
4-[[4-(2,7-Dimethylimidazo[1,2-a]pyridin-3-yl)-2-thiazolyl]amino]benzoic Acid
CID 1117208
4-[4-(2,7-Dimethyl-imidazo[1,2-a]pyridin-3-yl)-thiazol-2-ylamino]-benzoic acid
CID 2877131
4-[[4-[2-Methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzoic acid
CID 57538568
N-(2-aminophenyl)-4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
CID 123645591
Ethane;4-[[4-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzoic acid
CID 145540789
N-(2-aminophenyl)-4-[[4-[7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[8-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[5-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[8-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
CID 161264607
N-(2-aminophenyl)-4-[[5-[5-(imidazol-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[6-(imidazol-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[8-(imidazol-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[6-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[7-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[8-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
CID 162125362
benzene-1,2-diamine;2-bromo-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]benzoate;ethyl 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-(2,2,2-trifluoroethyl)amino]benzoate;N-hydroxy-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-(2,2,2-trifluoroethyl)amino]benzamide;4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-(2,2,2-trifluoroethyl)amino]benzoic acid;4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-(2,2,2-trifluoroethyl)amino]-N-phenylbenzamide
CID 162139736
4-[[4-(7-cyano-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide;4-[[4-(7-cyano-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-(2-methylphenyl)benzamide;methyl 3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-2-methylimidazo[1,2-a]pyridine-7-carboxylate;methyl 2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-7-carboxylate;N-methyl-4-[[4-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-methylphenyl)-4-[[4-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-methylphenyl)-4-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-methyl-4-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
CID 162253822
4-[[4-(2-Methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;hydrobromide
CID 2840131
4-[[4-(2-Methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;dihydrobromide
CID 5333108

Frequently Asked Questions

What is the IUPAC name of bis(N-(2-amino-3-pyridinyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid;pyridine-2,3-diamine?
The IUPAC name of bis(N-(2-amino-3-pyridinyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid;pyridine-2,3-diamine (CID 159235428) is bis(N-(2-amino-3-pyridinyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid;pyridine-2,3-diamine.
What is the SMILES notation for bis(N-(2-amino-3-pyridinyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid;pyridine-2,3-diamine?
The canonical SMILES for bis(N-(2-amino-3-pyridinyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid;pyridine-2,3-diamine is Nc1cccnc1N.Nc1ncccc1NC(=O)c1ccc(Nc2nc(-c3cnc4ccccn34)cs2)cc1.Nc1ncccc1NC(=O)c1ccc(Nc2nc(-c3cnc4ccccn34)cs2)cc1.O=C(O)c1ccc(Nc2nc(-c3cnc4ccccn34)cs2)cc1.
What is the InChIKey of bis(N-(2-amino-3-pyridinyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid;pyridine-2,3-diamine?
The InChIKey is KTKIPYCLIRDECM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H17N7OS.C17H12N4O2S.C5H7N3/c2*23-20-16(4-3-10-24-20)27-21(30)14-6-8-15(9-7-14)26-22-28-17(13-31-22)18-12-25-19-5-1-2-11-29(18)19;22-16(23)11-4-6-12(7-5-11)19-17-20-13(10-24-17)14-9-18-15-3-1-2-8-21(14)15;6-4-2-1-3-8-5(4)7/h2*1-13H,(H2,23,24)(H,26,28)(H,27,30);1-10H,(H,19,20)(H,22,23);1-3H,6H2,(H2,7,8).
What are the key properties of bis(N-(2-amino-3-pyridinyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid;pyridine-2,3-diamine?
bis(N-(2-amino-3-pyridinyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid;pyridine-2,3-diamine has a molecular weight of 1300.49 g/mol, XLogP of 13.01, 14 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-(2-amino-3-pyridinyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid;pyridine-2,3-diamine is sourced from PubChem (CID 159235428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).