3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;ethyl 2-amino-1,3-thiazole-5-carboxylate;ethyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-1,3-thiazole-5-carboxylate;N-hydroxy-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide

C55H49ClN16O6S3 — CID 161434289

About 3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;ethyl 2-amino-1,3-thiazole-5-carboxylate;ethyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-1,3-thiazole-5-carboxylate;N-hydroxy-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide

3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;ethyl 2-amino-1,3-thiazole-5-carboxylate;ethyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-1,3-thiazole-5-carboxylate;N-hydroxy-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 161434289) has the molecular formula C55H49ClN16O6S3 and a molecular weight of 1161.76 g/mol. Its IUPAC name is 3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;ethyl 2-amino-1,3-thiazole-5-carboxylate;ethyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-1,3-thiazole-5-carboxylate;N-hydroxy-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;ethyl 2-amino-1,3-thiazole-5-carboxylate;ethyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-1,3-thiazole-5-carboxylate;N-hydroxy-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide
• PubChem CID: 161434289
• Molecular Formula: C55H49ClN16O6S3
• Molecular Weight: 1161.76 g/mol
• Exact Mass: 1160.29
• IUPAC Name: 3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;ethyl 2-amino-1,3-thiazole-5-carboxylate;ethyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-1,3-thiazole-5-carboxylate;N-hydroxy-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide
• SMILES: CCOC(=O)c1cnc(N)s1.CCOC(=O)c1cnc(Nc2cc(-c3c(C)nc4ccccn34)ccn2)s1.Cc1nc2ccccn2c1-c1ccnc(Cl)c1.Cc1nc2ccccn2c1-c1ccnc(Nc2ncc(C(=O)NO)s2)c1
• InChI: InChI=1S/C19H17N5O2S.C17H14N6O2S.C13H10ClN3.C6H8N2O2S/c1-3-26-18(25)14-11-21-19(27-14)23-15-10-13(7-8-20-15)17-12(2)22-16-6-4-5-9-24(16)17;1-10-15(23-7-3-2-4-14(23)20-10)11-5-6-18-13(8-11)21-17-19-9-12(26-17)16(24)22-25;1-9-13(10-5-6-15-11(14)8-10)17-7-3-2-4-12(17)16-9;1-2-10-5(9)4-3-8-6(7)11-4/h4-11H,3H2,1-2H3,(H,20,21,23);2-9,25H,1H3,(H,22,24)(H,18,19,21);2-8H,1H3;3H,2H2,1H3,(H2,7,8)
• InChIKey: VYKYFNJKTOUFBC-UHFFFAOYSA-N
• XLogP: 11.37
• TPSA: 281.25 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1161.76
LogP ≤ 5	11.37
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;ethyl 2-amino-1,3-thiazole-5-carboxylate;ethyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-1,3-thiazole-5-carboxylate;N-hydroxy-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide?

The IUPAC name of 3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;ethyl 2-amino-1,3-thiazole-5-carboxylate;ethyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-1,3-thiazole-5-carboxylate;N-hydroxy-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide (CID 161434289) is 3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;ethyl 2-amino-1,3-thiazole-5-carboxylate;ethyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-1,3-thiazole-5-carboxylate;N-hydroxy-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;ethyl 2-amino-1,3-thiazole-5-carboxylate;ethyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-1,3-thiazole-5-carboxylate;N-hydroxy-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide?

The canonical SMILES for 3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;ethyl 2-amino-1,3-thiazole-5-carboxylate;ethyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-1,3-thiazole-5-carboxylate;N-hydroxy-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide is CCOC(=O)c1cnc(N)s1.CCOC(=O)c1cnc(Nc2cc(-c3c(C)nc4ccccn34)ccn2)s1.Cc1nc2ccccn2c1-c1ccnc(Cl)c1.Cc1nc2ccccn2c1-c1ccnc(Nc2ncc(C(=O)NO)s2)c1.

What is the InChIKey of 3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;ethyl 2-amino-1,3-thiazole-5-carboxylate;ethyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-1,3-thiazole-5-carboxylate;N-hydroxy-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide?

The InChIKey is VYKYFNJKTOUFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S.C17H14N6O2S.C13H10ClN3.C6H8N2O2S/c1-3-26-18(25)14-11-21-19(27-14)23-15-10-13(7-8-20-15)17-12(2)22-16-6-4-5-9-24(16)17;1-10-15(23-7-3-2-4-14(23)20-10)11-5-6-18-13(8-11)21-17-19-9-12(26-17)16(24)22-25;1-9-13(10-5-6-15-11(14)8-10)17-7-3-2-4-12(17)16-9;1-2-10-5(9)4-3-8-6(7)11-4/h4-11H,3H2,1-2H3,(H,20,21,23);2-9,25H,1H3,(H,22,24)(H,18,19,21);2-8H,1H3;3H,2H2,1H3,(H2,7,8).

What are the key properties of 3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;ethyl 2-amino-1,3-thiazole-5-carboxylate;ethyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-1,3-thiazole-5-carboxylate;N-hydroxy-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide?

3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;ethyl 2-amino-1,3-thiazole-5-carboxylate;ethyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-1,3-thiazole-5-carboxylate;N-hydroxy-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 1161.76 g/mol, XLogP of 11.37, 12 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;ethyl 2-amino-1,3-thiazole-5-carboxylate;ethyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-1,3-thiazole-5-carboxylate;N-hydroxy-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 161434289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).