13-cyclohexyl-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-N-(dimethylsulfamoyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-6-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;[2-[4-[13-cyclohexyl-10-(morpholin-4-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carbonyl]piperazin-1-yl]-2-oxoethyl] acetate;N-(dimethylsulfamoyl)-6-(4-methylsulfonylpiperazine-1-carbonyl)-3-phenylmethoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;methane

C139H163N23O23S6 — CID 157423671

IUPAC13-cyclohexyl-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-N-(dimethylsulfamoyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-6-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;[2-[4-[13-cyclohexyl-10-(morpholin-4-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carbonyl]piperazin-1-yl]-2-oxoethyl] acetate;N-(dimethylsulfamoyl)-6-(4-methylsulfonylpiperazine-1-carbonyl)-3-phenylmethoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;methane
SMILESC.C.C.CC(=O)OCC(=O)N1CCN(C(=O)C2=Cc3ccccc3-c3c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)N5CCOCC5)cc4n3C2)CC1.CN(C)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCN(c2nccs2)CC1)=Cc1ccccc1-3.CN(C)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCn2cnnc2C1)=Cc1ccccc1-3.CN(C)S(=O)(=O)NC(=O)c1ccc2cc3n(c2c1)CC(C(=O)N1CCN(S(C)(=O)=O)CC1)=Cc1cc(OCc2ccccc2)ccc1-3
InChIInChI=1S/C37H43N5O8S.C34H38N6O4S2.C33H35N5O7S2.C32H35N7O4S.3CH4/c1-25(43)50-24-33(44)39-13-15-40(16-14-39)37(46)29-21-27-9-5-6-10-30(27)35-34(26-7-3-2-4-8-26)31-12-11-28(22-32(31)42(35)23-29)36(45)38-51(47,48)41-17-19-49-20-18-41;1-37(2)46(43,44)36-32(41)25-12-13-28-29(21-25)40-22-26(33(42)38-15-17-39(18-16-38)34-35-14-19-45-34)20-24-10-6-7-11-27(24)31(40)30(28)23-8-4-3-5-9-23;1-35(2)47(43,44)34-32(39)25-10-9-24-19-31-29-12-11-28(45-22-23-7-5-4-6-8-23)18-26(29)17-27(21-38(31)30(24)20-25)33(40)36-13-15-37(16-14-36)46(3,41)42;1-36(2)44(42,43)35-31(40)23-12-13-26-27(17-23)39-18-24(32(41)37-14-15-38-20-33-34-28(38)19-37)16-22-10-6-7-11-25(22)30(39)29(26)21-8-4-3-5-9-21;;;/h5-6,9-12,21-22,26H,2-4,7-8,13-20,23-24H2,1H3,(H,38,45);6-7,10-14,19-21,23H,3-5,8-9,15-18,22H2,1-2H3,(H,36,41);4-12,17-20H,13-16,21-22H2,1-3H3,(H,34,39);6-7,10-13,16-17,20-21H,3-5,8-9,14-15,18-19H2,1-2H3,(H,35,40);3*1H4
InChIKeyBPSBOSDSQXNCLH-UHFFFAOYSA-N
MW2716.37 g/mol
LogP17.14
Rot. Bonds26

About 13-cyclohexyl-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-N-(dimethylsulfamoyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-6-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;[2-[4-[13-cyclohexyl-10-(morpholin-4-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carbonyl]piperazin-1-yl]-2-oxoethyl] acetate;N-(dimethylsulfamoyl)-6-(4-methylsulfonylpiperazine-1-carbonyl)-3-phenylmethoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;methane

13-cyclohexyl-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-N-(dimethylsulfamoyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-6-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;[2-[4-[13-cyclohexyl-10-(morpholin-4-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carbonyl]piperazin-1-yl]-2-oxoethyl] acetate;N-(dimethylsulfamoyl)-6-(4-methylsulfonylpiperazine-1-carbonyl)-3-phenylmethoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;methane (PubChem CID 157423671) has the molecular formula C139H163N23O23S6 and a molecular weight of 2716.37 g/mol. Its IUPAC name is 13-cyclohexyl-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-N-(dimethylsulfamoyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-6-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;[2-[4-[13-cyclohexyl-10-(morpholin-4-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carbonyl]piperazin-1-yl]-2-oxoethyl] acetate;N-(dimethylsulfamoyl)-6-(4-methylsulfonylpiperazine-1-carbonyl)-3-phenylmethoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;methane.

Molecular Properties

Compound Name13-cyclohexyl-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-N-(dimethylsulfamoyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-6-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;[2-[4-[13-cyclohexyl-10-(morpholin-4-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carbonyl]piperazin-1-yl]-2-oxoethyl] acetate;N-(dimethylsulfamoyl)-6-(4-methylsulfonylpiperazine-1-carbonyl)-3-phenylmethoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;methane
PubChem CID157423671
Molecular FormulaC139H163N23O23S6
Molecular Weight2716.37 g/mol
Exact Mass2714.06
IUPAC Name13-cyclohexyl-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-N-(dimethylsulfamoyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-6-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;[2-[4-[13-cyclohexyl-10-(morpholin-4-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carbonyl]piperazin-1-yl]-2-oxoethyl] acetate;N-(dimethylsulfamoyl)-6-(4-methylsulfonylpiperazine-1-carbonyl)-3-phenylmethoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;methane
SMILESC.C.C.CC(=O)OCC(=O)N1CCN(C(=O)C2=Cc3ccccc3-c3c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)N5CCOCC5)cc4n3C2)CC1.CN(C)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCN(c2nccs2)CC1)=Cc1ccccc1-3.CN(C)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCn2cnnc2C1)=Cc1ccccc1-3.CN(C)S(=O)(=O)NC(=O)c1ccc2cc3n(c2c1)CC(C(=O)N1CCN(S(C)(=O)=O)CC1)=Cc1cc(OCc2ccccc2)ccc1-3
InChIInChI=1S/C37H43N5O8S.C34H38N6O4S2.C33H35N5O7S2.C32H35N7O4S.3CH4/c1-25(43)50-24-33(44)39-13-15-40(16-14-39)37(46)29-21-27-9-5-6-10-30(27)35-34(26-7-3-2-4-8-26)31-12-11-28(22-32(31)42(35)23-29)36(45)38-51(47,48)41-17-19-49-20-18-41;1-37(2)46(43,44)36-32(41)25-12-13-28-29(21-25)40-22-26(33(42)38-15-17-39(18-16-38)34-35-14-19-45-34)20-24-10-6-7-11-27(24)31(40)30(28)23-8-4-3-5-9-23;1-35(2)47(43,44)34-32(39)25-10-9-24-19-31-29-12-11-28(45-22-23-7-5-4-6-8-23)18-26(29)17-27(21-38(31)30(24)20-25)33(40)36-13-15-37(16-14-36)46(3,41)42;1-36(2)44(42,43)35-31(40)23-12-13-26-27(17-23)39-18-24(32(41)37-14-15-38-20-33-34-28(38)19-37)16-22-10-6-7-11-25(22)30(39)29(26)21-8-4-3-5-9-21;;;/h5-6,9-12,21-22,26H,2-4,7-8,13-20,23-24H2,1H3,(H,38,45);6-7,10-14,19-21,23H,3-5,8-9,15-18,22H2,1-2H3,(H,36,41);4-12,17-20H,13-16,21-22H2,1-3H3,(H,34,39);6-7,10-13,16-17,20-21H,3-5,8-9,14-15,18-19H2,1-2H3,(H,35,40);3*1H4
InChIKeyBPSBOSDSQXNCLH-UHFFFAOYSA-N
XLogP17.14
TPSA516.17 Ų
H-Bond Donors4
H-Bond Acceptors33
Rotatable Bonds26
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002716.37
LogP ≤ 517.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1033

Analyze 13-cyclohexyl-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-N-(dimethylsulfamoyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-6-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;[2-[4-[13-cyclohexyl-10-(morpholin-4-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carbonyl]piperazin-1-yl]-2-oxoethyl] acetate;N-(dimethylsulfamoyl)-6-(4-methylsulfonylpiperazine-1-carbonyl)-3-phenylmethoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13-cyclohexyl-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-N-(dimethylsulfamoyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-6-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;[2-[4-[13-cyclohexyl-10-(morpholin-4-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carbonyl]piperazin-1-yl]-2-oxoethyl] acetate;N-(dimethylsulfamoyl)-6-(4-methylsulfonylpiperazine-1-carbonyl)-3-phenylmethoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;methane?
The IUPAC name of 13-cyclohexyl-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-N-(dimethylsulfamoyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-6-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;[2-[4-[13-cyclohexyl-10-(morpholin-4-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carbonyl]piperazin-1-yl]-2-oxoethyl] acetate;N-(dimethylsulfamoyl)-6-(4-methylsulfonylpiperazine-1-carbonyl)-3-phenylmethoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;methane (CID 157423671) is 13-cyclohexyl-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-N-(dimethylsulfamoyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-6-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;[2-[4-[13-cyclohexyl-10-(morpholin-4-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carbonyl]piperazin-1-yl]-2-oxoethyl] acetate;N-(dimethylsulfamoyl)-6-(4-methylsulfonylpiperazine-1-carbonyl)-3-phenylmethoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;methane.
What is the SMILES notation for 13-cyclohexyl-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-N-(dimethylsulfamoyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-6-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;[2-[4-[13-cyclohexyl-10-(morpholin-4-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carbonyl]piperazin-1-yl]-2-oxoethyl] acetate;N-(dimethylsulfamoyl)-6-(4-methylsulfonylpiperazine-1-carbonyl)-3-phenylmethoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;methane?
The canonical SMILES for 13-cyclohexyl-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-N-(dimethylsulfamoyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-6-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;[2-[4-[13-cyclohexyl-10-(morpholin-4-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carbonyl]piperazin-1-yl]-2-oxoethyl] acetate;N-(dimethylsulfamoyl)-6-(4-methylsulfonylpiperazine-1-carbonyl)-3-phenylmethoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;methane is C.C.C.CC(=O)OCC(=O)N1CCN(C(=O)C2=Cc3ccccc3-c3c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)N5CCOCC5)cc4n3C2)CC1.CN(C)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCN(c2nccs2)CC1)=Cc1ccccc1-3.CN(C)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCn2cnnc2C1)=Cc1ccccc1-3.CN(C)S(=O)(=O)NC(=O)c1ccc2cc3n(c2c1)CC(C(=O)N1CCN(S(C)(=O)=O)CC1)=Cc1cc(OCc2ccccc2)ccc1-3.
What is the InChIKey of 13-cyclohexyl-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-N-(dimethylsulfamoyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-6-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;[2-[4-[13-cyclohexyl-10-(morpholin-4-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carbonyl]piperazin-1-yl]-2-oxoethyl] acetate;N-(dimethylsulfamoyl)-6-(4-methylsulfonylpiperazine-1-carbonyl)-3-phenylmethoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;methane?
The InChIKey is BPSBOSDSQXNCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H43N5O8S.C34H38N6O4S2.C33H35N5O7S2.C32H35N7O4S.3CH4/c1-25(43)50-24-33(44)39-13-15-40(16-14-39)37(46)29-21-27-9-5-6-10-30(27)35-34(26-7-3-2-4-8-26)31-12-11-28(22-32(31)42(35)23-29)36(45)38-51(47,48)41-17-19-49-20-18-41;1-37(2)46(43,44)36-32(41)25-12-13-28-29(21-25)40-22-26(33(42)38-15-17-39(18-16-38)34-35-14-19-45-34)20-24-10-6-7-11-27(24)31(40)30(28)23-8-4-3-5-9-23;1-35(2)47(43,44)34-32(39)25-10-9-24-19-31-29-12-11-28(45-22-23-7-5-4-6-8-23)18-26(29)17-27(21-38(31)30(24)20-25)33(40)36-13-15-37(16-14-36)46(3,41)42;1-36(2)44(42,43)35-31(40)23-12-13-26-27(17-23)39-18-24(32(41)37-14-15-38-20-33-34-28(38)19-37)16-22-10-6-7-11-25(22)30(39)29(26)21-8-4-3-5-9-21;;;/h5-6,9-12,21-22,26H,2-4,7-8,13-20,23-24H2,1H3,(H,38,45);6-7,10-14,19-21,23H,3-5,8-9,15-18,22H2,1-2H3,(H,36,41);4-12,17-20H,13-16,21-22H2,1-3H3,(H,34,39);6-7,10-13,16-17,20-21H,3-5,8-9,14-15,18-19H2,1-2H3,(H,35,40);3*1H4.
What are the key properties of 13-cyclohexyl-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-N-(dimethylsulfamoyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-6-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;[2-[4-[13-cyclohexyl-10-(morpholin-4-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carbonyl]piperazin-1-yl]-2-oxoethyl] acetate;N-(dimethylsulfamoyl)-6-(4-methylsulfonylpiperazine-1-carbonyl)-3-phenylmethoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;methane?
13-cyclohexyl-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-N-(dimethylsulfamoyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-6-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;[2-[4-[13-cyclohexyl-10-(morpholin-4-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carbonyl]piperazin-1-yl]-2-oxoethyl] acetate;N-(dimethylsulfamoyl)-6-(4-methylsulfonylpiperazine-1-carbonyl)-3-phenylmethoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;methane has a molecular weight of 2716.37 g/mol, XLogP of 17.14, 26 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 13-cyclohexyl-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-N-(dimethylsulfamoyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-6-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;[2-[4-[13-cyclohexyl-10-(morpholin-4-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carbonyl]piperazin-1-yl]-2-oxoethyl] acetate;N-(dimethylsulfamoyl)-6-(4-methylsulfonylpiperazine-1-carbonyl)-3-phenylmethoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;methane is sourced from PubChem (CID 157423671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).