butan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;bis(butan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate);1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-[ethyl(methyl)amino]ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(4-methylpiperidin-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-thiomorpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;pyridin-2-ylmethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate

C274H302F6N36O31S — CID 159851041

IUPACbutan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;bis(butan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate);1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-[ethyl(methyl)amino]ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(4-methylpiperidin-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-thiomorpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;pyridin-2-ylmethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCN(C)C)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCN4CCOCC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCN4CCSCC4)cc3n2C2CCC2)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2CC2CC2)cc1)C1CC1.CC1CCN(CCOc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)CC1.CCC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2CC2CC2)cc1.CCC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2CC2CC2)cc1.CCN(C)CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)CC)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OCc4ccccn4)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C31H38N4O3.C29H34N4O4.C29H34N4O3S.C28H26N4O3.C28H34N4O3.C27H32N4O3.C26H25F2N3O3.C26H29N3O3.2C25H25F2N3O3/c1-21(2)38-31(36)33-24-9-7-23(8-10-24)30-28(20-32)27-12-11-26(19-29(27)35(30)25-5-4-6-25)37-18-17-34-15-13-22(3)14-16-34;1-20(2)37-29(34)31-22-8-6-21(7-9-22)28-26(19-30)25-11-10-24(18-27(25)33(28)23-4-3-5-23)36-17-14-32-12-15-35-16-13-32;1-20(2)36-29(34)31-22-8-6-21(7-9-22)28-26(19-30)25-11-10-24(18-27(25)33(28)23-4-3-5-23)35-15-12-32-13-16-37-17-14-32;1-2-34-23-13-14-24-25(17-29)27(32(26(24)16-23)22-7-5-8-22)19-9-11-20(12-10-19)31-28(33)35-18-21-6-3-4-15-30-21;1-5-31(4)15-16-34-23-13-14-24-25(18-29)27(32(26(24)17-23)22-7-6-8-22)20-9-11-21(12-10-20)30-28(33)35-19(2)3;1-18(2)34-27(32)29-20-10-8-19(9-11-20)26-24(17-28)23-13-12-22(33-15-14-30(3)4)16-25(23)31(26)21-6-5-7-21;1-15(17-4-5-17)33-26(32)30-19-8-6-18(7-9-19)24-22(13-29)21-11-10-20(34-25(27)28)12-23(21)31(24)14-16-2-3-16;1-4-17(3)32-26(30)28-19-11-9-18(10-12-19)25-23(16-27)22-14-13-21(31-5-2)15-24(22)29(25)20-7-6-8-20;2*1-3-15(2)32-25(31)29-18-8-6-17(7-9-18)23-21(13-28)20-11-10-19(33-24(26)27)12-22(20)30(23)14-16-4-5-16/h7-12,19,21-22,25H,4-6,13-18H2,1-3H3,(H,33,36);2*6-11,18,20,23H,3-5,12-17H2,1-2H3,(H,31,34);3-4,6,9-16,22H,2,5,7-8,18H2,1H3,(H,31,33);9-14,17,19,22H,5-8,15-16H2,1-4H3,(H,30,33);8-13,16,18,21H,5-7,14-15H2,1-4H3,(H,29,32);6-12,15-17,25H,2-5,14H2,1H3,(H,30,32);9-15,17,20H,4-8H2,1-3H3,(H,28,30);2*6-12,15-16,24H,3-5,14H2,1-2H3,(H,29,31)
InChIKeyNPXZPRJBHFWCFQ-UHFFFAOYSA-N
MW4741.71 g/mol
LogP63.54
Rot. Bonds79

About butan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;bis(butan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate);1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-[ethyl(methyl)amino]ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(4-methylpiperidin-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-thiomorpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;pyridin-2-ylmethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate

butan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;bis(butan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate);1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-[ethyl(methyl)amino]ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(4-methylpiperidin-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-thiomorpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;pyridin-2-ylmethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate (PubChem CID 159851041) has the molecular formula C274H302F6N36O31S and a molecular weight of 4741.71 g/mol. Its IUPAC name is butan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;bis(butan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate);1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-[ethyl(methyl)amino]ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(4-methylpiperidin-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-thiomorpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;pyridin-2-ylmethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Namebutan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;bis(butan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate);1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-[ethyl(methyl)amino]ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(4-methylpiperidin-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-thiomorpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;pyridin-2-ylmethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate
PubChem CID159851041
Molecular FormulaC274H302F6N36O31S
Molecular Weight4741.71 g/mol
Exact Mass4738.28
IUPAC Namebutan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;bis(butan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate);1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-[ethyl(methyl)amino]ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(4-methylpiperidin-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-thiomorpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;pyridin-2-ylmethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCN(C)C)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCN4CCOCC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCN4CCSCC4)cc3n2C2CCC2)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2CC2CC2)cc1)C1CC1.CC1CCN(CCOc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)CC1.CCC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2CC2CC2)cc1.CCC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2CC2CC2)cc1.CCN(C)CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)CC)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OCc4ccccn4)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C31H38N4O3.C29H34N4O4.C29H34N4O3S.C28H26N4O3.C28H34N4O3.C27H32N4O3.C26H25F2N3O3.C26H29N3O3.2C25H25F2N3O3/c1-21(2)38-31(36)33-24-9-7-23(8-10-24)30-28(20-32)27-12-11-26(19-29(27)35(30)25-5-4-6-25)37-18-17-34-15-13-22(3)14-16-34;1-20(2)37-29(34)31-22-8-6-21(7-9-22)28-26(19-30)25-11-10-24(18-27(25)33(28)23-4-3-5-23)36-17-14-32-12-15-35-16-13-32;1-20(2)36-29(34)31-22-8-6-21(7-9-22)28-26(19-30)25-11-10-24(18-27(25)33(28)23-4-3-5-23)35-15-12-32-13-16-37-17-14-32;1-2-34-23-13-14-24-25(17-29)27(32(26(24)16-23)22-7-5-8-22)19-9-11-20(12-10-19)31-28(33)35-18-21-6-3-4-15-30-21;1-5-31(4)15-16-34-23-13-14-24-25(18-29)27(32(26(24)17-23)22-7-6-8-22)20-9-11-21(12-10-20)30-28(33)35-19(2)3;1-18(2)34-27(32)29-20-10-8-19(9-11-20)26-24(17-28)23-13-12-22(33-15-14-30(3)4)16-25(23)31(26)21-6-5-7-21;1-15(17-4-5-17)33-26(32)30-19-8-6-18(7-9-19)24-22(13-29)21-11-10-20(34-25(27)28)12-23(21)31(24)14-16-2-3-16;1-4-17(3)32-26(30)28-19-11-9-18(10-12-19)25-23(16-27)22-14-13-21(31-5-2)15-24(22)29(25)20-7-6-8-20;2*1-3-15(2)32-25(31)29-18-8-6-17(7-9-18)23-21(13-28)20-11-10-19(33-24(26)27)12-22(20)30(23)14-16-4-5-16/h7-12,19,21-22,25H,4-6,13-18H2,1-3H3,(H,33,36);2*6-11,18,20,23H,3-5,12-17H2,1-2H3,(H,31,34);3-4,6,9-16,22H,2,5,7-8,18H2,1H3,(H,31,33);9-14,17,19,22H,5-8,15-16H2,1-4H3,(H,30,33);8-13,16,18,21H,5-7,14-15H2,1-4H3,(H,29,32);6-12,15-17,25H,2-5,14H2,1H3,(H,30,32);9-15,17,20H,4-8H2,1-3H3,(H,28,30);2*6-12,15-16,24H,3-5,14H2,1-2H3,(H,29,31)
InChIKeyNPXZPRJBHFWCFQ-UHFFFAOYSA-N
XLogP63.54
TPSA801.12 Ų
H-Bond Donors10
H-Bond Acceptors58
Rotatable Bonds79
Heavy Atoms348
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004741.71
LogP ≤ 563.54
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1058

Analyze butan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;bis(butan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate);1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-[ethyl(methyl)amino]ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(4-methylpiperidin-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-thiomorpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;pyridin-2-ylmethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of butan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;bis(butan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate);1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-[ethyl(methyl)amino]ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(4-methylpiperidin-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-thiomorpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;pyridin-2-ylmethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate?
The IUPAC name of butan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;bis(butan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate);1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-[ethyl(methyl)amino]ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(4-methylpiperidin-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-thiomorpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;pyridin-2-ylmethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate (CID 159851041) is butan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;bis(butan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate);1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-[ethyl(methyl)amino]ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(4-methylpiperidin-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-thiomorpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;pyridin-2-ylmethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate.
What is the SMILES notation for butan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;bis(butan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate);1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-[ethyl(methyl)amino]ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(4-methylpiperidin-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-thiomorpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;pyridin-2-ylmethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate?
The canonical SMILES for butan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;bis(butan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate);1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-[ethyl(methyl)amino]ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(4-methylpiperidin-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-thiomorpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;pyridin-2-ylmethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate is CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCN(C)C)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCN4CCOCC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCN4CCSCC4)cc3n2C2CCC2)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2CC2CC2)cc1)C1CC1.CC1CCN(CCOc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)CC1.CCC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2CC2CC2)cc1.CCC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2CC2CC2)cc1.CCN(C)CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)CC)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OCc4ccccn4)cc3)n(C3CCC3)c2c1.
What is the InChIKey of butan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;bis(butan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate);1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-[ethyl(methyl)amino]ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(4-methylpiperidin-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-thiomorpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;pyridin-2-ylmethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate?
The InChIKey is NPXZPRJBHFWCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N4O3.C29H34N4O4.C29H34N4O3S.C28H26N4O3.C28H34N4O3.C27H32N4O3.C26H25F2N3O3.C26H29N3O3.2C25H25F2N3O3/c1-21(2)38-31(36)33-24-9-7-23(8-10-24)30-28(20-32)27-12-11-26(19-29(27)35(30)25-5-4-6-25)37-18-17-34-15-13-22(3)14-16-34;1-20(2)37-29(34)31-22-8-6-21(7-9-22)28-26(19-30)25-11-10-24(18-27(25)33(28)23-4-3-5-23)36-17-14-32-12-15-35-16-13-32;1-20(2)36-29(34)31-22-8-6-21(7-9-22)28-26(19-30)25-11-10-24(18-27(25)33(28)23-4-3-5-23)35-15-12-32-13-16-37-17-14-32;1-2-34-23-13-14-24-25(17-29)27(32(26(24)16-23)22-7-5-8-22)19-9-11-20(12-10-19)31-28(33)35-18-21-6-3-4-15-30-21;1-5-31(4)15-16-34-23-13-14-24-25(18-29)27(32(26(24)17-23)22-7-6-8-22)20-9-11-21(12-10-20)30-28(33)35-19(2)3;1-18(2)34-27(32)29-20-10-8-19(9-11-20)26-24(17-28)23-13-12-22(33-15-14-30(3)4)16-25(23)31(26)21-6-5-7-21;1-15(17-4-5-17)33-26(32)30-19-8-6-18(7-9-19)24-22(13-29)21-11-10-20(34-25(27)28)12-23(21)31(24)14-16-2-3-16;1-4-17(3)32-26(30)28-19-11-9-18(10-12-19)25-23(16-27)22-14-13-21(31-5-2)15-24(22)29(25)20-7-6-8-20;2*1-3-15(2)32-25(31)29-18-8-6-17(7-9-18)23-21(13-28)20-11-10-19(33-24(26)27)12-22(20)30(23)14-16-4-5-16/h7-12,19,21-22,25H,4-6,13-18H2,1-3H3,(H,33,36);2*6-11,18,20,23H,3-5,12-17H2,1-2H3,(H,31,34);3-4,6,9-16,22H,2,5,7-8,18H2,1H3,(H,31,33);9-14,17,19,22H,5-8,15-16H2,1-4H3,(H,30,33);8-13,16,18,21H,5-7,14-15H2,1-4H3,(H,29,32);6-12,15-17,25H,2-5,14H2,1H3,(H,30,32);9-15,17,20H,4-8H2,1-3H3,(H,28,30);2*6-12,15-16,24H,3-5,14H2,1-2H3,(H,29,31).
What are the key properties of butan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;bis(butan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate);1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-[ethyl(methyl)amino]ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(4-methylpiperidin-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-thiomorpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;pyridin-2-ylmethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate?
butan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;bis(butan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate);1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-[ethyl(methyl)amino]ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(4-methylpiperidin-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-thiomorpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;pyridin-2-ylmethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate has a molecular weight of 4741.71 g/mol, XLogP of 63.54, 79 rotatable bonds, 10 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;bis(butan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate);1-cyclopropylethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-[ethyl(methyl)amino]ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(4-methylpiperidin-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-thiomorpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;pyridin-2-ylmethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 159851041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).