N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclobutanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclopentanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]ethanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[4-(trifluoromethyl)pyrimidin-2-yl]oxyindol-2-yl]phenyl]carbamate;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-morpholin-4-ylindole-3-carbonitrile;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-propan-2-yl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate

C273H277F9N40O38S6 — CID 159561467

IUPACN-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclobutanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclopentanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]ethanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[4-(trifluoromethyl)pyrimidin-2-yl]oxyindol-2-yl]phenyl]carbamate;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-morpholin-4-ylindole-3-carbonitrile;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-propan-2-yl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate
SMILESCC(C)CS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4COCOC4)cc3n2C2CCC2)cc1.CC(C)S(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4COCOC4)cc3n2C2CCC2)cc1.CC(C)n1c(-c2ccc(NC(=O)O[C@H](C)C(F)(F)F)cc2)c(C#N)c2ccc(Oc3ncccn3)cc21.CCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCOCC4)cc3n2C2CCC2)cc1.CCc1cnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)O[C@H](C)C5CC5)cc4)n(C4CCC4)c3c2)nc1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4nccc(C(F)(F)F)n4)cc3n2C2CCC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2CC2CC2)cc1)C(F)(F)F.N#Cc1c(-c2ccc(N3CCCS3(=O)=O)cc2)n(CC2CC2)c2cc(N3CCOCC3)ccc12.N#Cc1c(-c2ccc(NS(=O)(=O)C3CCC3)cc2)n(C2CCC2)c2cc(OC3COCOC3)ccc12.N#Cc1c(-c2ccc(NS(=O)(=O)C3CCCC3)cc2)n(C2CCC2)c2cc(OC3COCOC3)ccc12
InChIInChI=1S/C31H31N5O3.C30H26F3N5O3.C28H31N3O5S.C27H22F3N5O3.C27H29N3O5S.C27H31N3O5S.C26H22F3N5O3.C26H28N4O3S.C26H29N3O5S.C25H28N4O3S/c1-3-20-17-33-30(34-18-20)39-25-13-14-26-27(16-32)29(36(28(26)15-25)24-5-4-6-24)22-9-11-23(12-10-22)35-31(37)38-19(2)21-7-8-21;1-17(18-5-6-18)40-29(39)36-20-9-7-19(8-10-20)27-24(16-34)23-12-11-22(15-25(23)38(27)21-3-2-4-21)41-28-35-14-13-26(37-28)30(31,32)33;29-15-26-25-13-12-22(36-23-16-34-18-35-17-23)14-27(25)31(21-4-3-5-21)28(26)19-8-10-20(11-9-19)30-37(32,33)24-6-1-2-7-24;1-16(27(28,29)30)37-26(36)34-19-7-5-18(6-8-19)24-22(14-31)21-10-9-20(38-25-32-11-2-12-33-25)13-23(21)35(24)15-17-3-4-17;28-14-25-24-12-11-21(35-22-15-33-17-34-16-22)13-26(24)30(20-3-1-4-20)27(25)18-7-9-19(10-8-18)29-36(31,32)23-5-2-6-23;1-18(2)16-36(31,32)29-20-8-6-19(7-9-20)27-25(13-28)24-11-10-22(35-23-14-33-17-34-15-23)12-26(24)30(27)21-4-3-5-21;1-15(2)34-22-13-19(37-24-31-11-4-12-32-24)9-10-20(22)21(14-30)23(34)17-5-7-18(8-6-17)33-25(35)36-16(3)26(27,28)29;27-17-24-23-9-8-22(28-11-13-33-14-12-28)16-25(23)29(18-19-2-3-19)26(24)20-4-6-21(7-5-20)30-10-1-15-34(30,31)32;1-17(2)35(30,31)28-19-8-6-18(7-9-19)26-24(13-27)23-11-10-21(34-22-14-32-16-33-15-22)12-25(23)29(26)20-4-3-5-20;1-2-33(30,31)27-19-8-6-18(7-9-19)25-23(17-26)22-11-10-21(28-12-14-32-15-13-28)16-24(22)29(25)20-4-3-5-20/h9-15,17-19,21,24H,3-8H2,1-2H3,(H,35,37);7-15,17-18,21H,2-6H2,1H3,(H,36,39);8-14,21,23-24,30H,1-7,16-18H2;2,5-13,16-17H,3-4,15H2,1H3,(H,34,36);7-13,20,22-23,29H,1-6,15-17H2;6-12,18,21,23,29H,3-5,14-17H2,1-2H3;4-13,15-16H,1-3H3,(H,33,35);4-9,16,19H,1-3,10-15,18H2;6-12,17,20,22,28H,3-5,14-16H2,1-2H3;6-11,16,20,27H,2-5,12-15H2,1H3/t19-;17-;;16-;;;16-;;;/m11.1..1.../s1
InChIKeyMGRFLMXZOQLPKP-KWCRBADOSA-N
MW5089.85 g/mol
LogP57.39
Rot. Bonds68

About N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclobutanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclopentanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]ethanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[4-(trifluoromethyl)pyrimidin-2-yl]oxyindol-2-yl]phenyl]carbamate;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-morpholin-4-ylindole-3-carbonitrile;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-propan-2-yl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate

N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclobutanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclopentanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]ethanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[4-(trifluoromethyl)pyrimidin-2-yl]oxyindol-2-yl]phenyl]carbamate;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-morpholin-4-ylindole-3-carbonitrile;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-propan-2-yl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate (PubChem CID 159561467) has the molecular formula C273H277F9N40O38S6 and a molecular weight of 5089.85 g/mol. Its IUPAC name is N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclobutanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclopentanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]ethanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[4-(trifluoromethyl)pyrimidin-2-yl]oxyindol-2-yl]phenyl]carbamate;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-morpholin-4-ylindole-3-carbonitrile;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-propan-2-yl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound NameN-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclobutanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclopentanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]ethanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[4-(trifluoromethyl)pyrimidin-2-yl]oxyindol-2-yl]phenyl]carbamate;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-morpholin-4-ylindole-3-carbonitrile;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-propan-2-yl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate
PubChem CID159561467
Molecular FormulaC273H277F9N40O38S6
Molecular Weight5089.85 g/mol
Exact Mass5085.92
IUPAC NameN-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclobutanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclopentanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]ethanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[4-(trifluoromethyl)pyrimidin-2-yl]oxyindol-2-yl]phenyl]carbamate;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-morpholin-4-ylindole-3-carbonitrile;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-propan-2-yl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate
SMILESCC(C)CS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4COCOC4)cc3n2C2CCC2)cc1.CC(C)S(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4COCOC4)cc3n2C2CCC2)cc1.CC(C)n1c(-c2ccc(NC(=O)O[C@H](C)C(F)(F)F)cc2)c(C#N)c2ccc(Oc3ncccn3)cc21.CCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCOCC4)cc3n2C2CCC2)cc1.CCc1cnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)O[C@H](C)C5CC5)cc4)n(C4CCC4)c3c2)nc1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4nccc(C(F)(F)F)n4)cc3n2C2CCC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2CC2CC2)cc1)C(F)(F)F.N#Cc1c(-c2ccc(N3CCCS3(=O)=O)cc2)n(CC2CC2)c2cc(N3CCOCC3)ccc12.N#Cc1c(-c2ccc(NS(=O)(=O)C3CCC3)cc2)n(C2CCC2)c2cc(OC3COCOC3)ccc12.N#Cc1c(-c2ccc(NS(=O)(=O)C3CCCC3)cc2)n(C2CCC2)c2cc(OC3COCOC3)ccc12
InChIInChI=1S/C31H31N5O3.C30H26F3N5O3.C28H31N3O5S.C27H22F3N5O3.C27H29N3O5S.C27H31N3O5S.C26H22F3N5O3.C26H28N4O3S.C26H29N3O5S.C25H28N4O3S/c1-3-20-17-33-30(34-18-20)39-25-13-14-26-27(16-32)29(36(28(26)15-25)24-5-4-6-24)22-9-11-23(12-10-22)35-31(37)38-19(2)21-7-8-21;1-17(18-5-6-18)40-29(39)36-20-9-7-19(8-10-20)27-24(16-34)23-12-11-22(15-25(23)38(27)21-3-2-4-21)41-28-35-14-13-26(37-28)30(31,32)33;29-15-26-25-13-12-22(36-23-16-34-18-35-17-23)14-27(25)31(21-4-3-5-21)28(26)19-8-10-20(11-9-19)30-37(32,33)24-6-1-2-7-24;1-16(27(28,29)30)37-26(36)34-19-7-5-18(6-8-19)24-22(14-31)21-10-9-20(38-25-32-11-2-12-33-25)13-23(21)35(24)15-17-3-4-17;28-14-25-24-12-11-21(35-22-15-33-17-34-16-22)13-26(24)30(20-3-1-4-20)27(25)18-7-9-19(10-8-18)29-36(31,32)23-5-2-6-23;1-18(2)16-36(31,32)29-20-8-6-19(7-9-20)27-25(13-28)24-11-10-22(35-23-14-33-17-34-15-23)12-26(24)30(27)21-4-3-5-21;1-15(2)34-22-13-19(37-24-31-11-4-12-32-24)9-10-20(22)21(14-30)23(34)17-5-7-18(8-6-17)33-25(35)36-16(3)26(27,28)29;27-17-24-23-9-8-22(28-11-13-33-14-12-28)16-25(23)29(18-19-2-3-19)26(24)20-4-6-21(7-5-20)30-10-1-15-34(30,31)32;1-17(2)35(30,31)28-19-8-6-18(7-9-19)26-24(13-27)23-11-10-21(34-22-14-32-16-33-15-22)12-25(23)29(26)20-4-3-5-20;1-2-33(30,31)27-19-8-6-18(7-9-19)25-23(17-26)22-11-10-21(28-12-14-32-15-13-28)16-24(22)29(25)20-4-3-5-20/h9-15,17-19,21,24H,3-8H2,1-2H3,(H,35,37);7-15,17-18,21H,2-6H2,1H3,(H,36,39);8-14,21,23-24,30H,1-7,16-18H2;2,5-13,16-17H,3-4,15H2,1H3,(H,34,36);7-13,20,22-23,29H,1-6,15-17H2;6-12,18,21,23,29H,3-5,14-17H2,1-2H3;4-13,15-16H,1-3H3,(H,33,35);4-9,16,19H,1-3,10-15,18H2;6-12,17,20,22,28H,3-5,14-16H2,1-2H3;6-11,16,20,27H,2-5,12-15H2,1H3/t19-;17-;;16-;;;16-;;;/m11.1..1.../s1
InChIKeyMGRFLMXZOQLPKP-KWCRBADOSA-N
XLogP57.39
TPSA984.49 Ų
H-Bond Donors9
H-Bond Acceptors68
Rotatable Bonds68
Heavy Atoms366
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005089.85
LogP ≤ 557.39
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1068

Analyze N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclobutanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclopentanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]ethanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[4-(trifluoromethyl)pyrimidin-2-yl]oxyindol-2-yl]phenyl]carbamate;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-morpholin-4-ylindole-3-carbonitrile;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-propan-2-yl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate with MolForge

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What is the IUPAC name of N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclobutanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclopentanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]ethanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[4-(trifluoromethyl)pyrimidin-2-yl]oxyindol-2-yl]phenyl]carbamate;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-morpholin-4-ylindole-3-carbonitrile;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-propan-2-yl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate?
The IUPAC name of N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclobutanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclopentanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]ethanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[4-(trifluoromethyl)pyrimidin-2-yl]oxyindol-2-yl]phenyl]carbamate;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-morpholin-4-ylindole-3-carbonitrile;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-propan-2-yl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate (CID 159561467) is N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclobutanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclopentanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]ethanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[4-(trifluoromethyl)pyrimidin-2-yl]oxyindol-2-yl]phenyl]carbamate;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-morpholin-4-ylindole-3-carbonitrile;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-propan-2-yl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate.
What is the SMILES notation for N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclobutanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclopentanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]ethanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[4-(trifluoromethyl)pyrimidin-2-yl]oxyindol-2-yl]phenyl]carbamate;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-morpholin-4-ylindole-3-carbonitrile;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-propan-2-yl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate?
The canonical SMILES for N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclobutanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclopentanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]ethanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[4-(trifluoromethyl)pyrimidin-2-yl]oxyindol-2-yl]phenyl]carbamate;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-morpholin-4-ylindole-3-carbonitrile;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-propan-2-yl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate is CC(C)CS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4COCOC4)cc3n2C2CCC2)cc1.CC(C)S(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4COCOC4)cc3n2C2CCC2)cc1.CC(C)n1c(-c2ccc(NC(=O)O[C@H](C)C(F)(F)F)cc2)c(C#N)c2ccc(Oc3ncccn3)cc21.CCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCOCC4)cc3n2C2CCC2)cc1.CCc1cnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)O[C@H](C)C5CC5)cc4)n(C4CCC4)c3c2)nc1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4nccc(C(F)(F)F)n4)cc3n2C2CCC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2CC2CC2)cc1)C(F)(F)F.N#Cc1c(-c2ccc(N3CCCS3(=O)=O)cc2)n(CC2CC2)c2cc(N3CCOCC3)ccc12.N#Cc1c(-c2ccc(NS(=O)(=O)C3CCC3)cc2)n(C2CCC2)c2cc(OC3COCOC3)ccc12.N#Cc1c(-c2ccc(NS(=O)(=O)C3CCCC3)cc2)n(C2CCC2)c2cc(OC3COCOC3)ccc12.
What is the InChIKey of N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclobutanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclopentanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]ethanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[4-(trifluoromethyl)pyrimidin-2-yl]oxyindol-2-yl]phenyl]carbamate;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-morpholin-4-ylindole-3-carbonitrile;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-propan-2-yl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate?
The InChIKey is MGRFLMXZOQLPKP-KWCRBADOSA-N. The full InChI is InChI=1S/C31H31N5O3.C30H26F3N5O3.C28H31N3O5S.C27H22F3N5O3.C27H29N3O5S.C27H31N3O5S.C26H22F3N5O3.C26H28N4O3S.C26H29N3O5S.C25H28N4O3S/c1-3-20-17-33-30(34-18-20)39-25-13-14-26-27(16-32)29(36(28(26)15-25)24-5-4-6-24)22-9-11-23(12-10-22)35-31(37)38-19(2)21-7-8-21;1-17(18-5-6-18)40-29(39)36-20-9-7-19(8-10-20)27-24(16-34)23-12-11-22(15-25(23)38(27)21-3-2-4-21)41-28-35-14-13-26(37-28)30(31,32)33;29-15-26-25-13-12-22(36-23-16-34-18-35-17-23)14-27(25)31(21-4-3-5-21)28(26)19-8-10-20(11-9-19)30-37(32,33)24-6-1-2-7-24;1-16(27(28,29)30)37-26(36)34-19-7-5-18(6-8-19)24-22(14-31)21-10-9-20(38-25-32-11-2-12-33-25)13-23(21)35(24)15-17-3-4-17;28-14-25-24-12-11-21(35-22-15-33-17-34-16-22)13-26(24)30(20-3-1-4-20)27(25)18-7-9-19(10-8-18)29-36(31,32)23-5-2-6-23;1-18(2)16-36(31,32)29-20-8-6-19(7-9-20)27-25(13-28)24-11-10-22(35-23-14-33-17-34-15-23)12-26(24)30(27)21-4-3-5-21;1-15(2)34-22-13-19(37-24-31-11-4-12-32-24)9-10-20(22)21(14-30)23(34)17-5-7-18(8-6-17)33-25(35)36-16(3)26(27,28)29;27-17-24-23-9-8-22(28-11-13-33-14-12-28)16-25(23)29(18-19-2-3-19)26(24)20-4-6-21(7-5-20)30-10-1-15-34(30,31)32;1-17(2)35(30,31)28-19-8-6-18(7-9-19)26-24(13-27)23-11-10-21(34-22-14-32-16-33-15-22)12-25(23)29(26)20-4-3-5-20;1-2-33(30,31)27-19-8-6-18(7-9-19)25-23(17-26)22-11-10-21(28-12-14-32-15-13-28)16-24(22)29(25)20-4-3-5-20/h9-15,17-19,21,24H,3-8H2,1-2H3,(H,35,37);7-15,17-18,21H,2-6H2,1H3,(H,36,39);8-14,21,23-24,30H,1-7,16-18H2;2,5-13,16-17H,3-4,15H2,1H3,(H,34,36);7-13,20,22-23,29H,1-6,15-17H2;6-12,18,21,23,29H,3-5,14-17H2,1-2H3;4-13,15-16H,1-3H3,(H,33,35);4-9,16,19H,1-3,10-15,18H2;6-12,17,20,22,28H,3-5,14-16H2,1-2H3;6-11,16,20,27H,2-5,12-15H2,1H3/t19-;17-;;16-;;;16-;;;/m11.1..1.../s1.
What are the key properties of N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclobutanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclopentanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]ethanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[4-(trifluoromethyl)pyrimidin-2-yl]oxyindol-2-yl]phenyl]carbamate;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-morpholin-4-ylindole-3-carbonitrile;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-propan-2-yl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate?
N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclobutanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclopentanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]ethanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[4-(trifluoromethyl)pyrimidin-2-yl]oxyindol-2-yl]phenyl]carbamate;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-morpholin-4-ylindole-3-carbonitrile;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-propan-2-yl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate has a molecular weight of 5089.85 g/mol, XLogP of 57.39, 68 rotatable bonds, 9 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclobutanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclopentanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]ethanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[4-(trifluoromethyl)pyrimidin-2-yl]oxyindol-2-yl]phenyl]carbamate;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-morpholin-4-ylindole-3-carbonitrile;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-propan-2-yl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 159561467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).