N-(benzenesulfonyl)-4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxamide;[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(4-methyl-1,2,4-triazol-3-yl)piperazin-1-yl]methanone;trans-(1R,2R)-2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexane-1-carboxylic acid

C119H131Cl4F3N18O15S — CID 158652139

About N-(benzenesulfonyl)-4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxamide;[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(4-methyl-1,2,4-triazol-3-yl)piperazin-1-yl]methanone;trans-(1R,2R)-2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexane-1-carboxylic acid

N-(benzenesulfonyl)-4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxamide;[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(4-methyl-1,2,4-triazol-3-yl)piperazin-1-yl]methanone;trans-(1R,2R)-2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexane-1-carboxylic acid (PubChem CID 158652139) has the molecular formula C119H131Cl4F3N18O15S and a molecular weight of 2284.34 g/mol. Its IUPAC name is N-(benzenesulfonyl)-4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxamide;[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(4-methyl-1,2,4-triazol-3-yl)piperazin-1-yl]methanone;trans-(1R,2R)-2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexane-1-carboxylic acid.

Molecular Properties

• Compound Name: N-(benzenesulfonyl)-4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxamide;[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(4-methyl-1,2,4-triazol-3-yl)piperazin-1-yl]methanone;trans-(1R,2R)-2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexane-1-carboxylic acid
• PubChem CID: 158652139
• Molecular Formula: C119H131Cl4F3N18O15S
• Molecular Weight: 2284.34 g/mol
• Exact Mass: 2280.85
• IUPAC Name: N-(benzenesulfonyl)-4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxamide;[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(4-methyl-1,2,4-triazol-3-yl)piperazin-1-yl]methanone;trans-(1R,2R)-2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexane-1-carboxylic acid
• SMILES: CC(C)(C)c1cc(-c2ccc(Cl)c(F)c2)nc2cc(C(=O)N3CCN(C(=O)NS(=O)(=O)c4ccccc4)CC3(C)C)oc12.CC(C)(C)c1cc(-c2ccc(Cl)c(F)c2)nc2cc(C(=O)N3CCN(C(=O)[C@@H]4CCCC[C@H]4C(=O)O)CC3(C)C)oc12.Cc1cc(C(=O)N2CCN(C(=O)c3cc4nc(-c5ccc(Cl)c(F)c5)cc(C(C)(C)C)c4o3)C(C)(C)C2)n[nH]1.Cn1cnnc1N1CCN(C(=O)c2cc3nc(-c4ccc(Cl)cc4)cc(C(C)(C)C)c3o2)C(C)(C)C1
• InChI: InChI=1S/C32H37ClFN3O5.C31H32ClFN4O5S.C29H31ClFN5O3.C27H31ClN6O2/c1-31(2,3)21-15-24(18-10-11-22(33)23(34)14-18)35-25-16-26(42-27(21)25)29(39)37-13-12-36(17-32(37,4)5)28(38)19-8-6-7-9-20(19)30(40)41;1-30(2,3)21-16-24(19-11-12-22(32)23(33)15-19)34-25-17-26(42-27(21)25)28(38)37-14-13-36(18-31(37,4)5)29(39)35-43(40,41)20-9-7-6-8-10-20;1-16-11-23(34-33-16)26(37)35-9-10-36(29(5,6)15-35)27(38)24-14-22-25(39-24)18(28(2,3)4)13-21(32-22)17-7-8-19(30)20(31)12-17;1-26(2,3)19-13-20(17-7-9-18(28)10-8-17)30-21-14-22(36-23(19)21)24(35)34-12-11-33(15-27(34,4)5)25-31-29-16-32(25)6/h10-11,14-16,19-20H,6-9,12-13,17H2,1-5H3,(H,40,41);6-12,15-17H,13-14,18H2,1-5H3,(H,35,39);7-8,11-14H,9-10,15H2,1-6H3,(H,33,34);7-10,13-14,16H,11-12,15H2,1-6H3/t19-,20-;;;/m1.../s1
• InChIKey: IBRLLOJKWLAYOQ-IFLAXXRLSA-N
• XLogP: 24.07
• TPSA: 392.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 14
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2284.34
LogP ≤ 5	24.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxamide;[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(4-methyl-1,2,4-triazol-3-yl)piperazin-1-yl]methanone;trans-(1R,2R)-2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexane-1-carboxylic acid?

The IUPAC name of N-(benzenesulfonyl)-4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxamide;[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(4-methyl-1,2,4-triazol-3-yl)piperazin-1-yl]methanone;trans-(1R,2R)-2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexane-1-carboxylic acid (CID 158652139) is N-(benzenesulfonyl)-4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxamide;[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(4-methyl-1,2,4-triazol-3-yl)piperazin-1-yl]methanone;trans-(1R,2R)-2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexane-1-carboxylic acid.

What is the SMILES notation for N-(benzenesulfonyl)-4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxamide;[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(4-methyl-1,2,4-triazol-3-yl)piperazin-1-yl]methanone;trans-(1R,2R)-2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexane-1-carboxylic acid?

The canonical SMILES for N-(benzenesulfonyl)-4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxamide;[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(4-methyl-1,2,4-triazol-3-yl)piperazin-1-yl]methanone;trans-(1R,2R)-2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexane-1-carboxylic acid is CC(C)(C)c1cc(-c2ccc(Cl)c(F)c2)nc2cc(C(=O)N3CCN(C(=O)NS(=O)(=O)c4ccccc4)CC3(C)C)oc12.CC(C)(C)c1cc(-c2ccc(Cl)c(F)c2)nc2cc(C(=O)N3CCN(C(=O)[C@@H]4CCCC[C@H]4C(=O)O)CC3(C)C)oc12.Cc1cc(C(=O)N2CCN(C(=O)c3cc4nc(-c5ccc(Cl)c(F)c5)cc(C(C)(C)C)c4o3)C(C)(C)C2)n[nH]1.Cn1cnnc1N1CCN(C(=O)c2cc3nc(-c4ccc(Cl)cc4)cc(C(C)(C)C)c3o2)C(C)(C)C1.

What is the InChIKey of N-(benzenesulfonyl)-4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxamide;[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(4-methyl-1,2,4-triazol-3-yl)piperazin-1-yl]methanone;trans-(1R,2R)-2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexane-1-carboxylic acid?

The InChIKey is IBRLLOJKWLAYOQ-IFLAXXRLSA-N. The full InChI is InChI=1S/C32H37ClFN3O5.C31H32ClFN4O5S.C29H31ClFN5O3.C27H31ClN6O2/c1-31(2,3)21-15-24(18-10-11-22(33)23(34)14-18)35-25-16-26(42-27(21)25)29(39)37-13-12-36(17-32(37,4)5)28(38)19-8-6-7-9-20(19)30(40)41;1-30(2,3)21-16-24(19-11-12-22(32)23(33)15-19)34-25-17-26(42-27(21)25)28(38)37-14-13-36(18-31(37,4)5)29(39)35-43(40,41)20-9-7-6-8-10-20;1-16-11-23(34-33-16)26(37)35-9-10-36(29(5,6)15-35)27(38)24-14-22-25(39-24)18(28(2,3)4)13-21(32-22)17-7-8-19(30)20(31)12-17;1-26(2,3)19-13-20(17-7-9-18(28)10-8-17)30-21-14-22(36-23(19)21)24(35)34-12-11-33(15-27(34,4)5)25-31-29-16-32(25)6/h10-11,14-16,19-20H,6-9,12-13,17H2,1-5H3,(H,40,41);6-12,15-17H,13-14,18H2,1-5H3,(H,35,39);7-8,11-14H,9-10,15H2,1-6H3,(H,33,34);7-10,13-14,16H,11-12,15H2,1-6H3/t19-,20-;;;/m1.../s1.

What are the key properties of N-(benzenesulfonyl)-4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxamide;[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(4-methyl-1,2,4-triazol-3-yl)piperazin-1-yl]methanone;trans-(1R,2R)-2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexane-1-carboxylic acid?

N-(benzenesulfonyl)-4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxamide;[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(4-methyl-1,2,4-triazol-3-yl)piperazin-1-yl]methanone;trans-(1R,2R)-2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexane-1-carboxylic acid has a molecular weight of 2284.34 g/mol, XLogP of 24.07, 14 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-(benzenesulfonyl)-4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxamide;[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(4-methyl-1,2,4-triazol-3-yl)piperazin-1-yl]methanone;trans-(1R,2R)-2-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 158652139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).