1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)indole-5-carboxylic acid;1-(4-fluorophenyl)-6-hydroxy-2-morpholin-4-ylindole-5-sulfonamide;1-(4-fluorophenyl)-2-methoxyindole-5-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;[1-(4-fluorophenyl)-6-propan-2-yl-2-propan-2-ylsulfanylindol-5-yl]phosphonic acid;6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylindole-5-carboxamide

C111H115F7N15O18PS3 — CID 158245623

IUPAC1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)indole-5-carboxylic acid;1-(4-fluorophenyl)-6-hydroxy-2-morpholin-4-ylindole-5-sulfonamide;1-(4-fluorophenyl)-2-methoxyindole-5-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;[1-(4-fluorophenyl)-6-propan-2-yl-2-propan-2-ylsulfanylindol-5-yl]phosphonic acid;6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylindole-5-carboxamide
SMILESCC(C)N(C)c1nc2cc(S(N)(=O)=O)ccc2nc1-c1ccc(F)cc1.CC(C)Sc1cc2cc(P(=O)(O)O)c(C(C)C)cc2n1-c1ccc(F)cc1.COc1cc2c(cc1C(N)=O)cc(N1CCOCC1)n2-c1cccnc1.COc1cc2cc(C(=O)O)ccc2n1-c1ccc(F)cc1.NS(=O)(=O)c1cc2cc(N3CCOCC3)n(-c3ccc(F)cc3)c2cc1O.O=C(O)c1cc2cc(N3CCOCC3)n(C3CCCCC3)c2cc1C(F)(F)F
InChIInChI=1S/C20H23F3N2O3.C20H23FNO3PS.C19H20N4O3.C18H19FN4O2S.C18H18FN3O4S.C16H12FNO3/c21-20(22,23)16-12-17-13(10-15(16)19(26)27)11-18(24-6-8-28-9-7-24)25(17)14-4-2-1-3-5-14;1-12(2)17-11-18-14(9-19(17)26(23,24)25)10-20(27-13(3)4)22(18)16-7-5-15(21)6-8-16;1-25-17-11-16-13(9-15(17)19(20)24)10-18(22-5-7-26-8-6-22)23(16)14-3-2-4-21-12-14;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;19-13-1-3-14(4-2-13)22-15-11-16(23)17(27(20,24)25)9-12(15)10-18(22)21-5-7-26-8-6-21;1-21-15-9-11-8-10(16(19)20)2-7-14(11)18(15)13-5-3-12(17)4-6-13/h10-12,14H,1-9H2,(H,26,27);5-13H,1-4H3,(H2,23,24,25);2-4,9-12H,5-8H2,1H3,(H2,20,24);4-11H,1-3H3,(H2,20,24,25);1-4,9-11,23H,5-8H2,(H2,20,24,25);2-9H,1H3,(H,19,20)
InChIKeyGGBUCMTWRCTGCV-UHFFFAOYSA-N
MW2207.39 g/mol
LogP20.23
Rot. Bonds22

About 1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)indole-5-carboxylic acid;1-(4-fluorophenyl)-6-hydroxy-2-morpholin-4-ylindole-5-sulfonamide;1-(4-fluorophenyl)-2-methoxyindole-5-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;[1-(4-fluorophenyl)-6-propan-2-yl-2-propan-2-ylsulfanylindol-5-yl]phosphonic acid;6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylindole-5-carboxamide

1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)indole-5-carboxylic acid;1-(4-fluorophenyl)-6-hydroxy-2-morpholin-4-ylindole-5-sulfonamide;1-(4-fluorophenyl)-2-methoxyindole-5-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;[1-(4-fluorophenyl)-6-propan-2-yl-2-propan-2-ylsulfanylindol-5-yl]phosphonic acid;6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylindole-5-carboxamide (PubChem CID 158245623) has the molecular formula C111H115F7N15O18PS3 and a molecular weight of 2207.39 g/mol. Its IUPAC name is 1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)indole-5-carboxylic acid;1-(4-fluorophenyl)-6-hydroxy-2-morpholin-4-ylindole-5-sulfonamide;1-(4-fluorophenyl)-2-methoxyindole-5-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;[1-(4-fluorophenyl)-6-propan-2-yl-2-propan-2-ylsulfanylindol-5-yl]phosphonic acid;6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylindole-5-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)indole-5-carboxylic acid;1-(4-fluorophenyl)-6-hydroxy-2-morpholin-4-ylindole-5-sulfonamide;1-(4-fluorophenyl)-2-methoxyindole-5-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;[1-(4-fluorophenyl)-6-propan-2-yl-2-propan-2-ylsulfanylindol-5-yl]phosphonic acid;6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylindole-5-carboxamide
PubChem CID158245623
Molecular FormulaC111H115F7N15O18PS3
Molecular Weight2207.39 g/mol
Exact Mass2205.73
IUPAC Name1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)indole-5-carboxylic acid;1-(4-fluorophenyl)-6-hydroxy-2-morpholin-4-ylindole-5-sulfonamide;1-(4-fluorophenyl)-2-methoxyindole-5-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;[1-(4-fluorophenyl)-6-propan-2-yl-2-propan-2-ylsulfanylindol-5-yl]phosphonic acid;6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylindole-5-carboxamide
SMILESCC(C)N(C)c1nc2cc(S(N)(=O)=O)ccc2nc1-c1ccc(F)cc1.CC(C)Sc1cc2cc(P(=O)(O)O)c(C(C)C)cc2n1-c1ccc(F)cc1.COc1cc2c(cc1C(N)=O)cc(N1CCOCC1)n2-c1cccnc1.COc1cc2cc(C(=O)O)ccc2n1-c1ccc(F)cc1.NS(=O)(=O)c1cc2cc(N3CCOCC3)n(-c3ccc(F)cc3)c2cc1O.O=C(O)c1cc2cc(N3CCOCC3)n(C3CCCCC3)c2cc1C(F)(F)F
InChIInChI=1S/C20H23F3N2O3.C20H23FNO3PS.C19H20N4O3.C18H19FN4O2S.C18H18FN3O4S.C16H12FNO3/c21-20(22,23)16-12-17-13(10-15(16)19(26)27)11-18(24-6-8-28-9-7-24)25(17)14-4-2-1-3-5-14;1-12(2)17-11-18-14(9-19(17)26(23,24)25)10-20(27-13(3)4)22(18)16-7-5-15(21)6-8-16;1-25-17-11-16-13(9-15(17)19(20)24)10-18(22-5-7-26-8-6-22)23(16)14-3-2-4-21-12-14;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;19-13-1-3-14(4-2-13)22-15-11-16(23)17(27(20,24)25)9-12(15)10-18(22)21-5-7-26-8-6-21;1-21-15-9-11-8-10(16(19)20)2-7-14(11)18(15)13-5-3-12(17)4-6-13/h10-12,14H,1-9H2,(H,26,27);5-13H,1-4H3,(H2,23,24,25);2-4,9-12H,5-8H2,1H3,(H2,20,24);4-11H,1-3H3,(H2,20,24,25);1-4,9-11,23H,5-8H2,(H2,20,24,25);2-9H,1H3,(H,19,20)
InChIKeyGGBUCMTWRCTGCV-UHFFFAOYSA-N
XLogP20.23
TPSA438.20 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds22
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002207.39
LogP ≤ 520.23
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)indole-5-carboxylic acid;1-(4-fluorophenyl)-6-hydroxy-2-morpholin-4-ylindole-5-sulfonamide;1-(4-fluorophenyl)-2-methoxyindole-5-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;[1-(4-fluorophenyl)-6-propan-2-yl-2-propan-2-ylsulfanylindol-5-yl]phosphonic acid;6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylindole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)indole-5-carboxylic acid;1-(4-fluorophenyl)-6-hydroxy-2-morpholin-4-ylindole-5-sulfonamide;1-(4-fluorophenyl)-2-methoxyindole-5-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;[1-(4-fluorophenyl)-6-propan-2-yl-2-propan-2-ylsulfanylindol-5-yl]phosphonic acid;6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylindole-5-carboxamide?
The IUPAC name of 1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)indole-5-carboxylic acid;1-(4-fluorophenyl)-6-hydroxy-2-morpholin-4-ylindole-5-sulfonamide;1-(4-fluorophenyl)-2-methoxyindole-5-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;[1-(4-fluorophenyl)-6-propan-2-yl-2-propan-2-ylsulfanylindol-5-yl]phosphonic acid;6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylindole-5-carboxamide (CID 158245623) is 1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)indole-5-carboxylic acid;1-(4-fluorophenyl)-6-hydroxy-2-morpholin-4-ylindole-5-sulfonamide;1-(4-fluorophenyl)-2-methoxyindole-5-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;[1-(4-fluorophenyl)-6-propan-2-yl-2-propan-2-ylsulfanylindol-5-yl]phosphonic acid;6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylindole-5-carboxamide.
What is the SMILES notation for 1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)indole-5-carboxylic acid;1-(4-fluorophenyl)-6-hydroxy-2-morpholin-4-ylindole-5-sulfonamide;1-(4-fluorophenyl)-2-methoxyindole-5-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;[1-(4-fluorophenyl)-6-propan-2-yl-2-propan-2-ylsulfanylindol-5-yl]phosphonic acid;6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylindole-5-carboxamide?
The canonical SMILES for 1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)indole-5-carboxylic acid;1-(4-fluorophenyl)-6-hydroxy-2-morpholin-4-ylindole-5-sulfonamide;1-(4-fluorophenyl)-2-methoxyindole-5-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;[1-(4-fluorophenyl)-6-propan-2-yl-2-propan-2-ylsulfanylindol-5-yl]phosphonic acid;6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylindole-5-carboxamide is CC(C)N(C)c1nc2cc(S(N)(=O)=O)ccc2nc1-c1ccc(F)cc1.CC(C)Sc1cc2cc(P(=O)(O)O)c(C(C)C)cc2n1-c1ccc(F)cc1.COc1cc2c(cc1C(N)=O)cc(N1CCOCC1)n2-c1cccnc1.COc1cc2cc(C(=O)O)ccc2n1-c1ccc(F)cc1.NS(=O)(=O)c1cc2cc(N3CCOCC3)n(-c3ccc(F)cc3)c2cc1O.O=C(O)c1cc2cc(N3CCOCC3)n(C3CCCCC3)c2cc1C(F)(F)F.
What is the InChIKey of 1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)indole-5-carboxylic acid;1-(4-fluorophenyl)-6-hydroxy-2-morpholin-4-ylindole-5-sulfonamide;1-(4-fluorophenyl)-2-methoxyindole-5-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;[1-(4-fluorophenyl)-6-propan-2-yl-2-propan-2-ylsulfanylindol-5-yl]phosphonic acid;6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylindole-5-carboxamide?
The InChIKey is GGBUCMTWRCTGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O3.C20H23FNO3PS.C19H20N4O3.C18H19FN4O2S.C18H18FN3O4S.C16H12FNO3/c21-20(22,23)16-12-17-13(10-15(16)19(26)27)11-18(24-6-8-28-9-7-24)25(17)14-4-2-1-3-5-14;1-12(2)17-11-18-14(9-19(17)26(23,24)25)10-20(27-13(3)4)22(18)16-7-5-15(21)6-8-16;1-25-17-11-16-13(9-15(17)19(20)24)10-18(22-5-7-26-8-6-22)23(16)14-3-2-4-21-12-14;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;19-13-1-3-14(4-2-13)22-15-11-16(23)17(27(20,24)25)9-12(15)10-18(22)21-5-7-26-8-6-21;1-21-15-9-11-8-10(16(19)20)2-7-14(11)18(15)13-5-3-12(17)4-6-13/h10-12,14H,1-9H2,(H,26,27);5-13H,1-4H3,(H2,23,24,25);2-4,9-12H,5-8H2,1H3,(H2,20,24);4-11H,1-3H3,(H2,20,24,25);1-4,9-11,23H,5-8H2,(H2,20,24,25);2-9H,1H3,(H,19,20).
What are the key properties of 1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)indole-5-carboxylic acid;1-(4-fluorophenyl)-6-hydroxy-2-morpholin-4-ylindole-5-sulfonamide;1-(4-fluorophenyl)-2-methoxyindole-5-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;[1-(4-fluorophenyl)-6-propan-2-yl-2-propan-2-ylsulfanylindol-5-yl]phosphonic acid;6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylindole-5-carboxamide?
1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)indole-5-carboxylic acid;1-(4-fluorophenyl)-6-hydroxy-2-morpholin-4-ylindole-5-sulfonamide;1-(4-fluorophenyl)-2-methoxyindole-5-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;[1-(4-fluorophenyl)-6-propan-2-yl-2-propan-2-ylsulfanylindol-5-yl]phosphonic acid;6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylindole-5-carboxamide has a molecular weight of 2207.39 g/mol, XLogP of 20.23, 22 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)indole-5-carboxylic acid;1-(4-fluorophenyl)-6-hydroxy-2-morpholin-4-ylindole-5-sulfonamide;1-(4-fluorophenyl)-2-methoxyindole-5-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;[1-(4-fluorophenyl)-6-propan-2-yl-2-propan-2-ylsulfanylindol-5-yl]phosphonic acid;6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylindole-5-carboxamide is sourced from PubChem (CID 158245623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).