N-hydroxy-5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxamide;methyl 5-bromothiophene-2-carboxylate;4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine;5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylic acid;1-[5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophen-2-yl]-2-(oxan-2-yloxy)ethanone;methyl 5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylate

C93H81BrN26O11S5 — CID 158433539

About N-hydroxy-5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxamide;methyl 5-bromothiophene-2-carboxylate;4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine;5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylic acid;1-[5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophen-2-yl]-2-(oxan-2-yloxy)ethanone;methyl 5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylate

N-hydroxy-5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxamide;methyl 5-bromothiophene-2-carboxylate;4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine;5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylic acid;1-[5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophen-2-yl]-2-(oxan-2-yloxy)ethanone;methyl 5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylate (PubChem CID 158433539) has the molecular formula C93H81BrN26O11S5 and a molecular weight of 1979.08 g/mol. Its IUPAC name is N-hydroxy-5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxamide;methyl 5-bromothiophene-2-carboxylate;4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine;5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylic acid;1-[5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophen-2-yl]-2-(oxan-2-yloxy)ethanone;methyl 5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylate.

Molecular Properties

• Compound Name: N-hydroxy-5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxamide;methyl 5-bromothiophene-2-carboxylate;4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine;5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylic acid;1-[5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophen-2-yl]-2-(oxan-2-yloxy)ethanone;methyl 5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylate
• PubChem CID: 158433539
• Molecular Formula: C93H81BrN26O11S5
• Molecular Weight: 1979.08 g/mol
• Exact Mass: 1976.44
• IUPAC Name: N-hydroxy-5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxamide;methyl 5-bromothiophene-2-carboxylate;4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine;5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylic acid;1-[5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophen-2-yl]-2-(oxan-2-yloxy)ethanone;methyl 5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylate
• SMILES: COC(=O)c1ccc(Br)s1.COC(=O)c1ccc(Nc2nccc(-c3c(C)nc4ccccn34)n2)s1.Cc1nc2ccccn2c1-c1ccnc(N)n1.Cc1nc2ccccn2c1-c1ccnc(Nc2ccc(C(=O)COC3CCCCO3)s2)n1.Cc1nc2ccccn2c1-c1ccnc(Nc2ccc(C(=O)NO)s2)n1.Cc1nc2ccccn2c1-c1ccnc(Nc2ccc(C(=O)O)s2)n1
• InChI: InChI=1S/C23H23N5O3S.C18H15N5O2S.C17H14N6O2S.C17H13N5O2S.C12H11N5.C6H5BrO2S/c1-15-22(28-12-4-2-6-19(28)25-15)16-10-11-24-23(26-16)27-20-9-8-18(32-20)17(29)14-31-21-7-3-5-13-30-21;1-11-16(23-10-4-3-5-14(23)20-11)12-8-9-19-18(21-12)22-15-7-6-13(26-15)17(24)25-2;1-10-15(23-9-3-2-4-13(23)19-10)11-7-8-18-17(20-11)21-14-6-5-12(26-14)16(24)22-25;1-10-15(22-9-3-2-4-13(22)19-10)11-7-8-18-17(20-11)21-14-6-5-12(25-14)16(23)24;1-8-11(9-5-6-14-12(13)16-9)17-7-3-2-4-10(17)15-8;1-9-6(8)4-2-3-5(7)10-4/h2,4,6,8-12,21H,3,5,7,13-14H2,1H3,(H,24,26,27);3-10H,1-2H3,(H,19,21,22);2-9,25H,1H3,(H,22,24)(H,18,20,21);2-9H,1H3,(H,23,24)(H,18,20,21);2-7H,1H3,(H2,13,14,16);2-3H,1H3
• InChIKey: HBYGWSJQFCIYMW-UHFFFAOYSA-N
• XLogP: 18.93
• TPSA: 464.30 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 40
• Rotatable Bonds: 21
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1979.08
LogP ≤ 5	18.93
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'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 N-hydroxy-5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxamide;methyl 5-bromothiophene-2-carboxylate;4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine;5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylic acid;1-[5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophen-2-yl]-2-(oxan-2-yloxy)ethanone;methyl 5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylate?

The IUPAC name of N-hydroxy-5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxamide;methyl 5-bromothiophene-2-carboxylate;4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine;5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylic acid;1-[5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophen-2-yl]-2-(oxan-2-yloxy)ethanone;methyl 5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylate (CID 158433539) is N-hydroxy-5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxamide;methyl 5-bromothiophene-2-carboxylate;4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine;5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylic acid;1-[5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophen-2-yl]-2-(oxan-2-yloxy)ethanone;methyl 5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylate.

What is the SMILES notation for N-hydroxy-5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxamide;methyl 5-bromothiophene-2-carboxylate;4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine;5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylic acid;1-[5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophen-2-yl]-2-(oxan-2-yloxy)ethanone;methyl 5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylate?

The canonical SMILES for N-hydroxy-5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxamide;methyl 5-bromothiophene-2-carboxylate;4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine;5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylic acid;1-[5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophen-2-yl]-2-(oxan-2-yloxy)ethanone;methyl 5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylate is COC(=O)c1ccc(Br)s1.COC(=O)c1ccc(Nc2nccc(-c3c(C)nc4ccccn34)n2)s1.Cc1nc2ccccn2c1-c1ccnc(N)n1.Cc1nc2ccccn2c1-c1ccnc(Nc2ccc(C(=O)COC3CCCCO3)s2)n1.Cc1nc2ccccn2c1-c1ccnc(Nc2ccc(C(=O)NO)s2)n1.Cc1nc2ccccn2c1-c1ccnc(Nc2ccc(C(=O)O)s2)n1.

What is the InChIKey of N-hydroxy-5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxamide;methyl 5-bromothiophene-2-carboxylate;4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine;5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylic acid;1-[5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophen-2-yl]-2-(oxan-2-yloxy)ethanone;methyl 5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylate?

The InChIKey is HBYGWSJQFCIYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S.C18H15N5O2S.C17H14N6O2S.C17H13N5O2S.C12H11N5.C6H5BrO2S/c1-15-22(28-12-4-2-6-19(28)25-15)16-10-11-24-23(26-16)27-20-9-8-18(32-20)17(29)14-31-21-7-3-5-13-30-21;1-11-16(23-10-4-3-5-14(23)20-11)12-8-9-19-18(21-12)22-15-7-6-13(26-15)17(24)25-2;1-10-15(23-9-3-2-4-13(23)19-10)11-7-8-18-17(20-11)21-14-6-5-12(26-14)16(24)22-25;1-10-15(22-9-3-2-4-13(22)19-10)11-7-8-18-17(20-11)21-14-6-5-12(25-14)16(23)24;1-8-11(9-5-6-14-12(13)16-9)17-7-3-2-4-10(17)15-8;1-9-6(8)4-2-3-5(7)10-4/h2,4,6,8-12,21H,3,5,7,13-14H2,1H3,(H,24,26,27);3-10H,1-2H3,(H,19,21,22);2-9,25H,1H3,(H,22,24)(H,18,20,21);2-9H,1H3,(H,23,24)(H,18,20,21);2-7H,1H3,(H2,13,14,16);2-3H,1H3.

What are the key properties of N-hydroxy-5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxamide;methyl 5-bromothiophene-2-carboxylate;4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine;5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylic acid;1-[5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophen-2-yl]-2-(oxan-2-yloxy)ethanone;methyl 5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylate?

N-hydroxy-5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxamide;methyl 5-bromothiophene-2-carboxylate;4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine;5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylic acid;1-[5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophen-2-yl]-2-(oxan-2-yloxy)ethanone;methyl 5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylate has a molecular weight of 1979.08 g/mol, XLogP of 18.93, 21 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxamide;methyl 5-bromothiophene-2-carboxylate;4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine;5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylic acid;1-[5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophen-2-yl]-2-(oxan-2-yloxy)ethanone;methyl 5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 158433539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).