15-(azetidin-1-ylsulfonylcarbamoyl)-19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10-carboxylic acid;19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-methyl-1,4-diazepane-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-pyridin-2-ylpiperazine-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide

C143H169N17O22S4 — CID 159031717

IUPAC15-(azetidin-1-ylsulfonylcarbamoyl)-19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10-carboxylic acid;19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-methyl-1,4-diazepane-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-pyridin-2-ylpiperazine-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
SMILESCOc1ccc2c(c1)C1CC1(C(=O)N1CCCN(C)CC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C3CC3)cc21.COc1ccc2c(c1)C1CC1(C(=O)N1CCN(c3ccccn3)CC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C3CC3)cc21.COc1ccc2c(c1)C1CC1(C(=O)N1C[C@@H](C)O[C@@H](C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N3CCN(C)CC3)cc21.COc1ccc2c(c1)C1CC1(C(=O)O)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N3CCC3)cc21
InChIInChI=1S/C39H43N5O5S.C38H49N5O6S.C36H44N4O5S.C30H33N3O6S/c1-49-27-11-15-29-31(22-27)32-23-39(32,38(46)43-19-17-42(18-20-43)34-9-5-6-16-40-34)24-44-33-21-26(37(45)41-50(47,48)28-12-13-28)10-14-30(33)35(36(29)44)25-7-3-2-4-8-25;1-24-21-41(22-25(2)49-24)37(45)38-20-32(38)31-19-28(48-4)11-13-29(31)35-34(26-8-6-5-7-9-26)30-12-10-27(18-33(30)43(35)23-38)36(44)39-50(46,47)42-16-14-40(3)15-17-42;1-38-15-6-16-39(18-17-38)35(42)36-21-30(36)29-20-25(45-2)10-14-27(29)33-32(23-7-4-3-5-8-23)28-13-9-24(19-31(28)40(33)22-36)34(41)37-46(43,44)26-11-12-26;1-39-20-9-11-21-23(15-20)24-16-30(24,29(35)36)17-33-25-14-19(28(34)31-40(37,38)32-12-5-13-32)8-10-22(25)26(27(21)33)18-6-3-2-4-7-18/h5-6,9-11,14-16,21-22,25,28,32H,2-4,7-8,12-13,17-20,23-24H2,1H3,(H,41,45);10-13,18-19,24-26,32H,5-9,14-17,20-23H2,1-4H3,(H,39,44);9-10,13-14,19-20,23,26,30H,3-8,11-12,15-18,21-22H2,1-2H3,(H,37,41);8-11,14-15,18,24H,2-7,12-13,16-17H2,1H3,(H,31,34)(H,35,36)/t;24-,25+,32?,38?;;
InChIKeyJUYVEDIUMUETAQ-SMQRQMORSA-N
MW2606.29 g/mol
LogP20.38
Rot. Bonds25

About 15-(azetidin-1-ylsulfonylcarbamoyl)-19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10-carboxylic acid;19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-methyl-1,4-diazepane-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-pyridin-2-ylpiperazine-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide

15-(azetidin-1-ylsulfonylcarbamoyl)-19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10-carboxylic acid;19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-methyl-1,4-diazepane-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-pyridin-2-ylpiperazine-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide (PubChem CID 159031717) has the molecular formula C143H169N17O22S4 and a molecular weight of 2606.29 g/mol. Its IUPAC name is 15-(azetidin-1-ylsulfonylcarbamoyl)-19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10-carboxylic acid;19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-methyl-1,4-diazepane-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-pyridin-2-ylpiperazine-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide.

Molecular Properties

Compound Name15-(azetidin-1-ylsulfonylcarbamoyl)-19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10-carboxylic acid;19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-methyl-1,4-diazepane-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-pyridin-2-ylpiperazine-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
PubChem CID159031717
Molecular FormulaC143H169N17O22S4
Molecular Weight2606.29 g/mol
Exact Mass2604.15
IUPAC Name15-(azetidin-1-ylsulfonylcarbamoyl)-19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10-carboxylic acid;19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-methyl-1,4-diazepane-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-pyridin-2-ylpiperazine-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
SMILESCOc1ccc2c(c1)C1CC1(C(=O)N1CCCN(C)CC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C3CC3)cc21.COc1ccc2c(c1)C1CC1(C(=O)N1CCN(c3ccccn3)CC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C3CC3)cc21.COc1ccc2c(c1)C1CC1(C(=O)N1C[C@@H](C)O[C@@H](C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N3CCN(C)CC3)cc21.COc1ccc2c(c1)C1CC1(C(=O)O)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N3CCC3)cc21
InChIInChI=1S/C39H43N5O5S.C38H49N5O6S.C36H44N4O5S.C30H33N3O6S/c1-49-27-11-15-29-31(22-27)32-23-39(32,38(46)43-19-17-42(18-20-43)34-9-5-6-16-40-34)24-44-33-21-26(37(45)41-50(47,48)28-12-13-28)10-14-30(33)35(36(29)44)25-7-3-2-4-8-25;1-24-21-41(22-25(2)49-24)37(45)38-20-32(38)31-19-28(48-4)11-13-29(31)35-34(26-8-6-5-7-9-26)30-12-10-27(18-33(30)43(35)23-38)36(44)39-50(46,47)42-16-14-40(3)15-17-42;1-38-15-6-16-39(18-17-38)35(42)36-21-30(36)29-20-25(45-2)10-14-27(29)33-32(23-7-4-3-5-8-23)28-13-9-24(19-31(28)40(33)22-36)34(41)37-46(43,44)26-11-12-26;1-39-20-9-11-21-23(15-20)24-16-30(24,29(35)36)17-33-25-14-19(28(34)31-40(37,38)32-12-5-13-32)8-10-22(25)26(27(21)33)18-6-3-2-4-7-18/h5-6,9-11,14-16,21-22,25,28,32H,2-4,7-8,12-13,17-20,23-24H2,1H3,(H,41,45);10-13,18-19,24-26,32H,5-9,14-17,20-23H2,1-4H3,(H,39,44);9-10,13-14,19-20,23,26,30H,3-8,11-12,15-18,21-22H2,1-2H3,(H,37,41);8-11,14-15,18,24H,2-7,12-13,16-17H2,1H3,(H,31,34)(H,35,36)/t;24-,25+,32?,38?;;
InChIKeyJUYVEDIUMUETAQ-SMQRQMORSA-N
XLogP20.38
TPSA446.15 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds25
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002606.29
LogP ≤ 520.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Analyze 15-(azetidin-1-ylsulfonylcarbamoyl)-19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10-carboxylic acid;19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-methyl-1,4-diazepane-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-pyridin-2-ylpiperazine-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide with MolForge

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Related Compounds

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CID 161813711
CID 161813711
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CID 162040717
CID 25013742
CID 25013742
CID 71067521
CID 71067521
CID 145475001
CID 145475001
CID 145475629
CID 145475629
CID 145475630
CID 145475630
CID 153642338
CID 153642338

Frequently Asked Questions

What is the IUPAC name of 15-(azetidin-1-ylsulfonylcarbamoyl)-19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10-carboxylic acid;19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-methyl-1,4-diazepane-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-pyridin-2-ylpiperazine-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide?
The IUPAC name of 15-(azetidin-1-ylsulfonylcarbamoyl)-19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10-carboxylic acid;19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-methyl-1,4-diazepane-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-pyridin-2-ylpiperazine-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide (CID 159031717) is 15-(azetidin-1-ylsulfonylcarbamoyl)-19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10-carboxylic acid;19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-methyl-1,4-diazepane-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-pyridin-2-ylpiperazine-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide.
What is the SMILES notation for 15-(azetidin-1-ylsulfonylcarbamoyl)-19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10-carboxylic acid;19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-methyl-1,4-diazepane-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-pyridin-2-ylpiperazine-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide?
The canonical SMILES for 15-(azetidin-1-ylsulfonylcarbamoyl)-19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10-carboxylic acid;19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-methyl-1,4-diazepane-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-pyridin-2-ylpiperazine-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide is COc1ccc2c(c1)C1CC1(C(=O)N1CCCN(C)CC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C3CC3)cc21.COc1ccc2c(c1)C1CC1(C(=O)N1CCN(c3ccccn3)CC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C3CC3)cc21.COc1ccc2c(c1)C1CC1(C(=O)N1C[C@@H](C)O[C@@H](C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N3CCN(C)CC3)cc21.COc1ccc2c(c1)C1CC1(C(=O)O)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N3CCC3)cc21.
What is the InChIKey of 15-(azetidin-1-ylsulfonylcarbamoyl)-19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10-carboxylic acid;19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-methyl-1,4-diazepane-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-pyridin-2-ylpiperazine-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide?
The InChIKey is JUYVEDIUMUETAQ-SMQRQMORSA-N. The full InChI is InChI=1S/C39H43N5O5S.C38H49N5O6S.C36H44N4O5S.C30H33N3O6S/c1-49-27-11-15-29-31(22-27)32-23-39(32,38(46)43-19-17-42(18-20-43)34-9-5-6-16-40-34)24-44-33-21-26(37(45)41-50(47,48)28-12-13-28)10-14-30(33)35(36(29)44)25-7-3-2-4-8-25;1-24-21-41(22-25(2)49-24)37(45)38-20-32(38)31-19-28(48-4)11-13-29(31)35-34(26-8-6-5-7-9-26)30-12-10-27(18-33(30)43(35)23-38)36(44)39-50(46,47)42-16-14-40(3)15-17-42;1-38-15-6-16-39(18-17-38)35(42)36-21-30(36)29-20-25(45-2)10-14-27(29)33-32(23-7-4-3-5-8-23)28-13-9-24(19-31(28)40(33)22-36)34(41)37-46(43,44)26-11-12-26;1-39-20-9-11-21-23(15-20)24-16-30(24,29(35)36)17-33-25-14-19(28(34)31-40(37,38)32-12-5-13-32)8-10-22(25)26(27(21)33)18-6-3-2-4-7-18/h5-6,9-11,14-16,21-22,25,28,32H,2-4,7-8,12-13,17-20,23-24H2,1H3,(H,41,45);10-13,18-19,24-26,32H,5-9,14-17,20-23H2,1-4H3,(H,39,44);9-10,13-14,19-20,23,26,30H,3-8,11-12,15-18,21-22H2,1-2H3,(H,37,41);8-11,14-15,18,24H,2-7,12-13,16-17H2,1H3,(H,31,34)(H,35,36)/t;24-,25+,32?,38?;;.
What are the key properties of 15-(azetidin-1-ylsulfonylcarbamoyl)-19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10-carboxylic acid;19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-methyl-1,4-diazepane-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-pyridin-2-ylpiperazine-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide?
15-(azetidin-1-ylsulfonylcarbamoyl)-19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10-carboxylic acid;19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-methyl-1,4-diazepane-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-pyridin-2-ylpiperazine-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide has a molecular weight of 2606.29 g/mol, XLogP of 20.38, 25 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(azetidin-1-ylsulfonylcarbamoyl)-19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10-carboxylic acid;19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-methyl-1,4-diazepane-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-pyridin-2-ylpiperazine-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide is sourced from PubChem (CID 159031717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).