6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylic acid;3-[3-[6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;methyl 6-bromo-1H-indole-4-carboxylate;methyl 6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylate

C99H102Br4N10O18S4 — CID 158012323

IUPAC6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylic acid;3-[3-[6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;methyl 6-bromo-1H-indole-4-carboxylate;methyl 6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylate
SMILESC=CCC1(S(=O)(=O)n2ccc3c(C(=O)CCc4c(C)cc(C)[nH]c4=O)cc(-c4ccc(N5CCN(C)CC5)nc4)cc32)CC1.C=CCC1(S(=O)(=O)n2ccc3c(C(=O)CCc4c(C)cc(C)[nH]c4=O)cc(Br)cc32)CC1.C=CCC1(S(=O)(=O)n2ccc3c(C(=O)O)cc(Br)cc32)CC1.C=CCC1(S(=O)(=O)n2ccc3c(C(=O)OC)cc(Br)cc32)CC1.COC(=O)c1cc(Br)cc2[nH]ccc12
InChIInChI=1S/C34H39N5O4S.C24H25BrN2O4S.C16H16BrNO4S.C15H14BrNO4S.C10H8BrNO2/c1-5-11-34(12-13-34)44(42,43)39-14-10-28-29(31(40)8-7-27-23(2)19-24(3)36-33(27)41)20-26(21-30(28)39)25-6-9-32(35-22-25)38-17-15-37(4)16-18-38;1-4-8-24(9-10-24)32(30,31)27-11-7-19-20(13-17(25)14-21(19)27)22(28)6-5-18-15(2)12-16(3)26-23(18)29;1-3-5-16(6-7-16)23(20,21)18-8-4-12-13(15(19)22-2)9-11(17)10-14(12)18;1-2-4-15(5-6-15)22(20,21)17-7-3-11-12(14(18)19)8-10(16)9-13(11)17;1-14-10(13)8-4-6(11)5-9-7(8)2-3-12-9/h5-6,9-10,14,19-22H,1,7-8,11-13,15-18H2,2-4H3,(H,36,41);4,7,11-14H,1,5-6,8-10H2,2-3H3,(H,26,29);3-4,8-10H,1,5-7H2,2H3;2-3,7-9H,1,4-6H2,(H,18,19);2-5,12H,1H3
InChIKeyFFASZNADIUGHDL-UHFFFAOYSA-N
MW2167.84 g/mol
LogP19.26
Rot. Bonds29

About 6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylic acid;3-[3-[6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;methyl 6-bromo-1H-indole-4-carboxylate;methyl 6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylate

6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylic acid;3-[3-[6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;methyl 6-bromo-1H-indole-4-carboxylate;methyl 6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylate (PubChem CID 158012323) has the molecular formula C99H102Br4N10O18S4 and a molecular weight of 2167.84 g/mol. Its IUPAC name is 6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylic acid;3-[3-[6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;methyl 6-bromo-1H-indole-4-carboxylate;methyl 6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylate.

Molecular Properties

Compound Name6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylic acid;3-[3-[6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;methyl 6-bromo-1H-indole-4-carboxylate;methyl 6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylate
PubChem CID158012323
Molecular FormulaC99H102Br4N10O18S4
Molecular Weight2167.84 g/mol
Exact Mass2162.30
IUPAC Name6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylic acid;3-[3-[6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;methyl 6-bromo-1H-indole-4-carboxylate;methyl 6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylate
SMILESC=CCC1(S(=O)(=O)n2ccc3c(C(=O)CCc4c(C)cc(C)[nH]c4=O)cc(-c4ccc(N5CCN(C)CC5)nc4)cc32)CC1.C=CCC1(S(=O)(=O)n2ccc3c(C(=O)CCc4c(C)cc(C)[nH]c4=O)cc(Br)cc32)CC1.C=CCC1(S(=O)(=O)n2ccc3c(C(=O)O)cc(Br)cc32)CC1.C=CCC1(S(=O)(=O)n2ccc3c(C(=O)OC)cc(Br)cc32)CC1.COC(=O)c1cc(Br)cc2[nH]ccc12
InChIInChI=1S/C34H39N5O4S.C24H25BrN2O4S.C16H16BrNO4S.C15H14BrNO4S.C10H8BrNO2/c1-5-11-34(12-13-34)44(42,43)39-14-10-28-29(31(40)8-7-27-23(2)19-24(3)36-33(27)41)20-26(21-30(28)39)25-6-9-32(35-22-25)38-17-15-37(4)16-18-38;1-4-8-24(9-10-24)32(30,31)27-11-7-19-20(13-17(25)14-21(19)27)22(28)6-5-18-15(2)12-16(3)26-23(18)29;1-3-5-16(6-7-16)23(20,21)18-8-4-12-13(15(19)22-2)9-11(17)10-14(12)18;1-2-4-15(5-6-15)22(20,21)17-7-3-11-12(14(18)19)8-10(16)9-13(11)17;1-14-10(13)8-4-6(11)5-9-7(8)2-3-12-9/h5-6,9-10,14,19-22H,1,7-8,11-13,15-18H2,2-4H3,(H,36,41);4,7,11-14H,1,5-6,8-10H2,2-3H3,(H,26,29);3-4,8-10H,1,5-7H2,2H3;2-3,7-9H,1,4-6H2,(H,18,19);2-5,12H,1H3
InChIKeyFFASZNADIUGHDL-UHFFFAOYSA-N
XLogP19.26
TPSA381.20 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds29
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002167.84
LogP ≤ 519.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylic acid;3-[3-[6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;methyl 6-bromo-1H-indole-4-carboxylate;methyl 6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylate with MolForge

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Related Compounds

3-(aminomethyl)-2-methoxy-6-methyl-1H-pyridin-4-one;6-bromo-1-butan-2-yl-N-[(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-3-methylindole-4-carboxamide;6-bromo-1-butan-2-yl-3-methylindole-4-carboxylic acid;1-butan-2-yl-N-[(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)indole-4-carboxamide;ethanol;methyl 6-bromo-1-butan-2-yl-3-methylindole-4-carboxylate;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine
CID 158410381
6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindole-4-carboxylic acid;3-[3-(6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl)-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;methyl 6-bromo-2,3-dihydro-1H-indole-4-carboxylate;methyl 6-bromo-1-propan-2-ylsulfonyl-2,3-dihydroindole-4-carboxylate;propane-2-sulfonyl chloride
CID 159331487
6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxylic acid;3-[3-[6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;methyl 6-bromo-3-methyl-2,3-dihydro-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxylate;1-prop-2-enylcyclopropane-1-sulfonyl chloride
CID 159549847
2-(aminomethyl)-3,5-dimethylcyclohexa-2,4-dien-1-one;6-bromo-3-methyl-1-propan-2-ylindole-4-carboxylic acid;2-[3-(6-bromo-3-methyl-1-propan-2-ylindol-4-yl)-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-bromopropane;3,5-dimethyl-2-[3-[3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylindol-4-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;methyl 6-bromo-3-methyl-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1-propan-2-ylindole-4-carboxylate;2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;propanal
CID 159932948
3-[3-[6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;bis(4,6-dimethyl-3-[3-[3-methyl-6-(6-piperidin-1-yl-3-pyridinyl)-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one);4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one
CID 159970161
2-(aminomethyl)-3,5-dimethylcyclohexa-2,4-dien-1-one;6-bromo-3-methyl-1-propan-2-ylindole-4-carboxylic acid;2-[3-(6-bromo-3-methyl-1-propan-2-ylindol-4-yl)-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-bromopropane;3,5-dimethyl-2-[3-[3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylindol-4-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;3,5-dimethyl-2-[3-[3-methyl-1-propan-2-yl-6-[6-(4-propylpiperazin-1-yl)-3-pyridinyl]indol-4-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;methane;methyl 6-bromo-3-methyl-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1-propan-2-ylindole-4-carboxylate;2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;propanal
CID 160610939

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylic acid;3-[3-[6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;methyl 6-bromo-1H-indole-4-carboxylate;methyl 6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylate?
The IUPAC name of 6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylic acid;3-[3-[6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;methyl 6-bromo-1H-indole-4-carboxylate;methyl 6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylate (CID 158012323) is 6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylic acid;3-[3-[6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;methyl 6-bromo-1H-indole-4-carboxylate;methyl 6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylate.
What is the SMILES notation for 6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylic acid;3-[3-[6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;methyl 6-bromo-1H-indole-4-carboxylate;methyl 6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylate?
The canonical SMILES for 6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylic acid;3-[3-[6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;methyl 6-bromo-1H-indole-4-carboxylate;methyl 6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylate is C=CCC1(S(=O)(=O)n2ccc3c(C(=O)CCc4c(C)cc(C)[nH]c4=O)cc(-c4ccc(N5CCN(C)CC5)nc4)cc32)CC1.C=CCC1(S(=O)(=O)n2ccc3c(C(=O)CCc4c(C)cc(C)[nH]c4=O)cc(Br)cc32)CC1.C=CCC1(S(=O)(=O)n2ccc3c(C(=O)O)cc(Br)cc32)CC1.C=CCC1(S(=O)(=O)n2ccc3c(C(=O)OC)cc(Br)cc32)CC1.COC(=O)c1cc(Br)cc2[nH]ccc12.
What is the InChIKey of 6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylic acid;3-[3-[6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;methyl 6-bromo-1H-indole-4-carboxylate;methyl 6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylate?
The InChIKey is FFASZNADIUGHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N5O4S.C24H25BrN2O4S.C16H16BrNO4S.C15H14BrNO4S.C10H8BrNO2/c1-5-11-34(12-13-34)44(42,43)39-14-10-28-29(31(40)8-7-27-23(2)19-24(3)36-33(27)41)20-26(21-30(28)39)25-6-9-32(35-22-25)38-17-15-37(4)16-18-38;1-4-8-24(9-10-24)32(30,31)27-11-7-19-20(13-17(25)14-21(19)27)22(28)6-5-18-15(2)12-16(3)26-23(18)29;1-3-5-16(6-7-16)23(20,21)18-8-4-12-13(15(19)22-2)9-11(17)10-14(12)18;1-2-4-15(5-6-15)22(20,21)17-7-3-11-12(14(18)19)8-10(16)9-13(11)17;1-14-10(13)8-4-6(11)5-9-7(8)2-3-12-9/h5-6,9-10,14,19-22H,1,7-8,11-13,15-18H2,2-4H3,(H,36,41);4,7,11-14H,1,5-6,8-10H2,2-3H3,(H,26,29);3-4,8-10H,1,5-7H2,2H3;2-3,7-9H,1,4-6H2,(H,18,19);2-5,12H,1H3.
What are the key properties of 6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylic acid;3-[3-[6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;methyl 6-bromo-1H-indole-4-carboxylate;methyl 6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylate?
6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylic acid;3-[3-[6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;methyl 6-bromo-1H-indole-4-carboxylate;methyl 6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylate has a molecular weight of 2167.84 g/mol, XLogP of 19.26, 29 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylic acid;3-[3-[6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;methyl 6-bromo-1H-indole-4-carboxylate;methyl 6-bromo-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxylate is sourced from PubChem (CID 158012323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).