1-(1-benzofuran-2-yl)-6-oxo-2-piperidin-1-yl-7H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)-2-methoxyindole-5-carboxylic acid;2-(4-fluorophenyl)-N-methyl-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide

C93H93F6N15O14S2 — CID 158203882

IUPAC1-(1-benzofuran-2-yl)-6-oxo-2-piperidin-1-yl-7H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)-2-methoxyindole-5-carboxylic acid;2-(4-fluorophenyl)-N-methyl-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide
SMILESCC(C)N(C)c1nc2cc(S(N)(=O)=O)ccc2nc1-c1ccc(F)cc1.CNS(=O)(=O)c1ccc2nc(-c3ccc(F)cc3)c(N(C)C(C)C)nc2c1.COc1cc2cc(C(=O)O)ccc2n1-c1ccc(F)cc1.O=C(O)c1cc2cc(N3CCCCC3)n(-c3cc4ccccc4o3)c2[nH]c1=O.O=C(O)c1cc2cc(N3CCOCC3)n(C3CCCCC3)c2nc1C(F)(F)F
InChIInChI=1S/C21H19N3O4.C19H22F3N3O3.C19H21FN4O2S.C18H19FN4O2S.C16H12FNO3/c25-20-15(21(26)27)10-14-11-17(23-8-4-1-5-9-23)24(19(14)22-20)18-12-13-6-2-3-7-16(13)28-18;20-19(21,22)16-14(18(26)27)10-12-11-15(24-6-8-28-9-7-24)25(17(12)23-16)13-4-2-1-3-5-13;1-12(2)24(4)19-18(13-5-7-14(20)8-6-13)22-16-10-9-15(11-17(16)23-19)27(25,26)21-3;1-11(2)23(3)18-17(12-4-6-13(19)7-5-12)21-15-9-8-14(26(20,24)25)10-16(15)22-18;1-21-15-9-11-8-10(16(19)20)2-7-14(11)18(15)13-5-3-12(17)4-6-13/h2-3,6-7,10-12H,1,4-5,8-9H2,(H,22,25)(H,26,27);10-11,13H,1-9H2,(H,26,27);5-12,21H,1-4H3;4-11H,1-3H3,(H2,20,24,25);2-9H,1H3,(H,19,20)
InChIKeyGBGKHRDFMSHFPB-UHFFFAOYSA-N
MW1822.98 g/mol
LogP17.44
Rot. Bonds18

About 1-(1-benzofuran-2-yl)-6-oxo-2-piperidin-1-yl-7H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)-2-methoxyindole-5-carboxylic acid;2-(4-fluorophenyl)-N-methyl-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide

1-(1-benzofuran-2-yl)-6-oxo-2-piperidin-1-yl-7H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)-2-methoxyindole-5-carboxylic acid;2-(4-fluorophenyl)-N-methyl-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide (PubChem CID 158203882) has the molecular formula C93H93F6N15O14S2 and a molecular weight of 1822.98 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-6-oxo-2-piperidin-1-yl-7H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)-2-methoxyindole-5-carboxylic acid;2-(4-fluorophenyl)-N-methyl-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-6-oxo-2-piperidin-1-yl-7H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)-2-methoxyindole-5-carboxylic acid;2-(4-fluorophenyl)-N-methyl-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide
PubChem CID158203882
Molecular FormulaC93H93F6N15O14S2
Molecular Weight1822.98 g/mol
Exact Mass1821.64
IUPAC Name1-(1-benzofuran-2-yl)-6-oxo-2-piperidin-1-yl-7H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)-2-methoxyindole-5-carboxylic acid;2-(4-fluorophenyl)-N-methyl-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide
SMILESCC(C)N(C)c1nc2cc(S(N)(=O)=O)ccc2nc1-c1ccc(F)cc1.CNS(=O)(=O)c1ccc2nc(-c3ccc(F)cc3)c(N(C)C(C)C)nc2c1.COc1cc2cc(C(=O)O)ccc2n1-c1ccc(F)cc1.O=C(O)c1cc2cc(N3CCCCC3)n(-c3cc4ccccc4o3)c2[nH]c1=O.O=C(O)c1cc2cc(N3CCOCC3)n(C3CCCCC3)c2nc1C(F)(F)F
InChIInChI=1S/C21H19N3O4.C19H22F3N3O3.C19H21FN4O2S.C18H19FN4O2S.C16H12FNO3/c25-20-15(21(26)27)10-14-11-17(23-8-4-1-5-9-23)24(19(14)22-20)18-12-13-6-2-3-7-16(13)28-18;20-19(21,22)16-14(18(26)27)10-12-11-15(24-6-8-28-9-7-24)25(17(12)23-16)13-4-2-1-3-5-13;1-12(2)24(4)19-18(13-5-7-14(20)8-6-13)22-16-10-9-15(11-17(16)23-19)27(25,26)21-3;1-11(2)23(3)18-17(12-4-6-13(19)7-5-12)21-15-9-8-14(26(20,24)25)10-16(15)22-18;1-21-15-9-11-8-10(16(19)20)2-7-14(11)18(15)13-5-3-12(17)4-6-13/h2-3,6-7,10-12H,1,4-5,8-9H2,(H,22,25)(H,26,27);10-11,13H,1-9H2,(H,26,27);5-12,21H,1-4H3;4-11H,1-3H3,(H2,20,24,25);2-9H,1H3,(H,19,20)
InChIKeyGBGKHRDFMSHFPB-UHFFFAOYSA-N
XLogP17.44
TPSA374.89 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds18
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001822.98
LogP ≤ 517.44
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Analyze 1-(1-benzofuran-2-yl)-6-oxo-2-piperidin-1-yl-7H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)-2-methoxyindole-5-carboxylic acid;2-(4-fluorophenyl)-N-methyl-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-6-oxo-2-piperidin-1-yl-7H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)-2-methoxyindole-5-carboxylic acid;2-(4-fluorophenyl)-N-methyl-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide?
The IUPAC name of 1-(1-benzofuran-2-yl)-6-oxo-2-piperidin-1-yl-7H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)-2-methoxyindole-5-carboxylic acid;2-(4-fluorophenyl)-N-methyl-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide (CID 158203882) is 1-(1-benzofuran-2-yl)-6-oxo-2-piperidin-1-yl-7H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)-2-methoxyindole-5-carboxylic acid;2-(4-fluorophenyl)-N-methyl-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-6-oxo-2-piperidin-1-yl-7H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)-2-methoxyindole-5-carboxylic acid;2-(4-fluorophenyl)-N-methyl-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide?
The canonical SMILES for 1-(1-benzofuran-2-yl)-6-oxo-2-piperidin-1-yl-7H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)-2-methoxyindole-5-carboxylic acid;2-(4-fluorophenyl)-N-methyl-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide is CC(C)N(C)c1nc2cc(S(N)(=O)=O)ccc2nc1-c1ccc(F)cc1.CNS(=O)(=O)c1ccc2nc(-c3ccc(F)cc3)c(N(C)C(C)C)nc2c1.COc1cc2cc(C(=O)O)ccc2n1-c1ccc(F)cc1.O=C(O)c1cc2cc(N3CCCCC3)n(-c3cc4ccccc4o3)c2[nH]c1=O.O=C(O)c1cc2cc(N3CCOCC3)n(C3CCCCC3)c2nc1C(F)(F)F.
What is the InChIKey of 1-(1-benzofuran-2-yl)-6-oxo-2-piperidin-1-yl-7H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)-2-methoxyindole-5-carboxylic acid;2-(4-fluorophenyl)-N-methyl-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide?
The InChIKey is GBGKHRDFMSHFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4.C19H22F3N3O3.C19H21FN4O2S.C18H19FN4O2S.C16H12FNO3/c25-20-15(21(26)27)10-14-11-17(23-8-4-1-5-9-23)24(19(14)22-20)18-12-13-6-2-3-7-16(13)28-18;20-19(21,22)16-14(18(26)27)10-12-11-15(24-6-8-28-9-7-24)25(17(12)23-16)13-4-2-1-3-5-13;1-12(2)24(4)19-18(13-5-7-14(20)8-6-13)22-16-10-9-15(11-17(16)23-19)27(25,26)21-3;1-11(2)23(3)18-17(12-4-6-13(19)7-5-12)21-15-9-8-14(26(20,24)25)10-16(15)22-18;1-21-15-9-11-8-10(16(19)20)2-7-14(11)18(15)13-5-3-12(17)4-6-13/h2-3,6-7,10-12H,1,4-5,8-9H2,(H,22,25)(H,26,27);10-11,13H,1-9H2,(H,26,27);5-12,21H,1-4H3;4-11H,1-3H3,(H2,20,24,25);2-9H,1H3,(H,19,20).
What are the key properties of 1-(1-benzofuran-2-yl)-6-oxo-2-piperidin-1-yl-7H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)-2-methoxyindole-5-carboxylic acid;2-(4-fluorophenyl)-N-methyl-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide?
1-(1-benzofuran-2-yl)-6-oxo-2-piperidin-1-yl-7H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)-2-methoxyindole-5-carboxylic acid;2-(4-fluorophenyl)-N-methyl-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide has a molecular weight of 1822.98 g/mol, XLogP of 17.44, 18 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-6-oxo-2-piperidin-1-yl-7H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)-2-methoxyindole-5-carboxylic acid;2-(4-fluorophenyl)-N-methyl-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide is sourced from PubChem (CID 158203882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).