2-(4-bromophenyl)-4-[(3-fluoro-8-methylindolizine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(indolizine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(indolizine-6-carbonylamino)thiophene-3-carboxylic acid

C142H93Br2Cl5F3N15O21S7 — CID 161375791

About 2-(4-bromophenyl)-4-[(3-fluoro-8-methylindolizine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(indolizine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(indolizine-6-carbonylamino)thiophene-3-carboxylic acid

2-(4-bromophenyl)-4-[(3-fluoro-8-methylindolizine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(indolizine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(indolizine-6-carbonylamino)thiophene-3-carboxylic acid (PubChem CID 161375791) has the molecular formula C142H93Br2Cl5F3N15O21S7 and a molecular weight of 2963.93 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-[(3-fluoro-8-methylindolizine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(indolizine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(indolizine-6-carbonylamino)thiophene-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-(4-bromophenyl)-4-[(3-fluoro-8-methylindolizine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(indolizine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(indolizine-6-carbonylamino)thiophene-3-carboxylic acid
• PubChem CID: 161375791
• Molecular Formula: C142H93Br2Cl5F3N15O21S7
• Molecular Weight: 2963.93 g/mol
• Exact Mass: 2957.15
• IUPAC Name: 2-(4-bromophenyl)-4-[(3-fluoro-8-methylindolizine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(indolizine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(indolizine-6-carbonylamino)thiophene-3-carboxylic acid
• SMILES: Cc1cccc2nc(C(=O)Cc3csc(-c4ccc(Cl)cc4)c3C(=O)O)c(F)n12.Cc1cccn2c(F)c(C(=O)Cc3csc(-c4ccc(Cl)cc4)c3C(=O)O)nc12.Cc1cccn2c(F)c(C(=O)Nc3csc(-c4ccc(Br)cc4)c3C(=O)O)cc12.O=C(Cc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cn2ccccc2n1.O=C(Nc1csc(-c2ccc(Br)cc2)c1C(=O)O)c1cn2ccccc2n1.O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2ccccn2c1.O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1ccc2cccn2c1
• InChI: InChI=1S/C21H14BrFN2O3S.2C21H14ClFN2O3S.3C20H13ClN2O3S.C19H12BrN3O3S/c1-11-3-2-8-25-16(11)9-14(19(25)23)20(26)24-15-10-29-18(17(15)21(27)28)12-4-6-13(22)7-5-12;1-11-3-2-8-25-19(23)17(24-20(11)25)15(26)9-13-10-29-18(16(13)21(27)28)12-4-6-14(22)7-5-12;1-11-3-2-4-16-24-18(20(23)25(11)16)15(26)9-13-10-29-19(17(13)21(27)28)12-5-7-14(22)8-6-12;21-14-6-3-12(4-7-14)18-17(20(25)26)16(11-27-18)22-19(24)13-5-8-15-2-1-9-23(15)10-13;21-14-6-4-12(5-7-14)19-18(20(25)26)13(11-27-19)9-16(24)15-10-23-8-2-1-3-17(23)22-15;21-14-6-4-12(5-7-14)18-17(20(25)26)16(11-27-18)22-19(24)13-9-15-3-1-2-8-23(15)10-13;20-12-6-4-11(5-7-12)17-16(19(25)26)14(10-27-17)22-18(24)13-9-23-8-2-1-3-15(23)21-13/h2-10H,1H3,(H,24,26)(H,27,28);2*2-8,10H,9H2,1H3,(H,27,28);1-11H,(H,22,24)(H,25,26);1-8,10-11H,9H2,(H,25,26);1-11H,(H,22,24)(H,25,26);1-10H,(H,22,24)(H,25,26)
• InChIKey: VRBGQGHILJUQET-UHFFFAOYSA-N
• XLogP: 36.56
• TPSA: 511.14 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 32
• Rotatable Bonds: 31
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2963.93
LogP ≤ 5	36.56
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-[(3-fluoro-8-methylindolizine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(indolizine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(indolizine-6-carbonylamino)thiophene-3-carboxylic acid?

The IUPAC name of 2-(4-bromophenyl)-4-[(3-fluoro-8-methylindolizine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(indolizine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(indolizine-6-carbonylamino)thiophene-3-carboxylic acid (CID 161375791) is 2-(4-bromophenyl)-4-[(3-fluoro-8-methylindolizine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(indolizine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(indolizine-6-carbonylamino)thiophene-3-carboxylic acid.

What is the SMILES notation for 2-(4-bromophenyl)-4-[(3-fluoro-8-methylindolizine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(indolizine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(indolizine-6-carbonylamino)thiophene-3-carboxylic acid?

The canonical SMILES for 2-(4-bromophenyl)-4-[(3-fluoro-8-methylindolizine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(indolizine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(indolizine-6-carbonylamino)thiophene-3-carboxylic acid is Cc1cccc2nc(C(=O)Cc3csc(-c4ccc(Cl)cc4)c3C(=O)O)c(F)n12.Cc1cccn2c(F)c(C(=O)Cc3csc(-c4ccc(Cl)cc4)c3C(=O)O)nc12.Cc1cccn2c(F)c(C(=O)Nc3csc(-c4ccc(Br)cc4)c3C(=O)O)cc12.O=C(Cc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cn2ccccc2n1.O=C(Nc1csc(-c2ccc(Br)cc2)c1C(=O)O)c1cn2ccccc2n1.O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2ccccn2c1.O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1ccc2cccn2c1.

What is the InChIKey of 2-(4-bromophenyl)-4-[(3-fluoro-8-methylindolizine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(indolizine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(indolizine-6-carbonylamino)thiophene-3-carboxylic acid?

The InChIKey is VRBGQGHILJUQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrFN2O3S.2C21H14ClFN2O3S.3C20H13ClN2O3S.C19H12BrN3O3S/c1-11-3-2-8-25-16(11)9-14(19(25)23)20(26)24-15-10-29-18(17(15)21(27)28)12-4-6-13(22)7-5-12;1-11-3-2-8-25-19(23)17(24-20(11)25)15(26)9-13-10-29-18(16(13)21(27)28)12-4-6-14(22)7-5-12;1-11-3-2-4-16-24-18(20(23)25(11)16)15(26)9-13-10-29-19(17(13)21(27)28)12-5-7-14(22)8-6-12;21-14-6-3-12(4-7-14)18-17(20(25)26)16(11-27-18)22-19(24)13-5-8-15-2-1-9-23(15)10-13;21-14-6-4-12(5-7-14)19-18(20(25)26)13(11-27-19)9-16(24)15-10-23-8-2-1-3-17(23)22-15;21-14-6-4-12(5-7-14)18-17(20(25)26)16(11-27-18)22-19(24)13-9-15-3-1-2-8-23(15)10-13;20-12-6-4-11(5-7-12)17-16(19(25)26)14(10-27-17)22-18(24)13-9-23-8-2-1-3-15(23)21-13/h2-10H,1H3,(H,24,26)(H,27,28);2*2-8,10H,9H2,1H3,(H,27,28);1-11H,(H,22,24)(H,25,26);1-8,10-11H,9H2,(H,25,26);1-11H,(H,22,24)(H,25,26);1-10H,(H,22,24)(H,25,26).

What are the key properties of 2-(4-bromophenyl)-4-[(3-fluoro-8-methylindolizine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(indolizine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(indolizine-6-carbonylamino)thiophene-3-carboxylic acid?

2-(4-bromophenyl)-4-[(3-fluoro-8-methylindolizine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(indolizine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(indolizine-6-carbonylamino)thiophene-3-carboxylic acid has a molecular weight of 2963.93 g/mol, XLogP of 36.56, 31 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromophenyl)-4-[(3-fluoro-8-methylindolizine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(indolizine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(indolizine-6-carbonylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 161375791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).