N-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]propane-1-sulfonamide;propan-2-yl N-[2-chloro-4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-fluorophenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-methylphenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-piperidin-1-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate

C273H289ClF10N34O38S — CID 159273035

IUPACN-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]propane-1-sulfonamide;propan-2-yl N-[2-chloro-4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-fluorophenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-methylphenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-piperidin-1-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2c(C#N)c3cc(OC4COCOC4)ccc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCCCC4)cc3n2CC2CC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCOCC4)cc3n2CC2CC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1Cl.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1F.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCOCC4)cc3n2CC2CC2)cc1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4COCOC4)cc3n2C2CCC2)cc1)C(F)(F)F.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC4COCO4)cc3n2C2CCC2)cc1)C(F)(F)F.C[C@@H](OC(=O)Nc1ccc(-c2cc3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1)C(F)(F)F.Cc1cc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)ccc1NC(=O)OC(C)C
InChIInChI=1S/C29H33N3O4.C28H30ClN3O4.C28H30FN3O4.C28H32N4O2.2C27H26F3N3O5.C27H30N4O3.C27H29N3O5.C26H23F3N4O3.C26H30N4O3S/c1-18(2)35-29(33)31-26-10-7-20(15-19(26)3)28-25(17-30)24-9-8-23(36-22-11-13-34-14-12-22)16-27(24)32(28)21-5-4-6-21;2*1-17(2)35-28(33)31-25-9-6-18(14-24(25)29)27-23(16-30)22-8-7-21(36-20-10-12-34-13-11-20)15-26(22)32(27)19-4-3-5-19;1-19(2)34-28(33)30-22-10-8-21(9-11-22)27-25(17-29)24-13-12-23(31-14-4-3-5-15-31)16-26(24)32(27)18-20-6-7-20;1-16(27(28,29)30)38-26(34)32-18-7-5-17(6-8-18)25-23(12-31)22-10-9-20(36-14-21-13-35-15-37-21)11-24(22)33(25)19-3-2-4-19;1-16(27(28,29)30)37-26(34)32-18-7-5-17(6-8-18)25-23(12-31)22-10-9-20(38-21-13-35-15-36-14-21)11-24(22)33(25)19-3-2-4-19;1-18(2)34-27(32)29-21-7-5-20(6-8-21)26-24(16-28)23-10-9-22(30-11-13-33-14-12-30)15-25(23)31(26)17-19-3-4-19;1-17(2)34-27(31)29-19-8-6-18(7-9-19)26-24(13-28)23-12-21(35-22-14-32-16-33-15-22)10-11-25(23)30(26)20-4-3-5-20;1-16(26(27,28)29)35-25(34)32-19-9-6-17(7-10-19)22-14-18-8-11-21(36-24-30-12-3-13-31-24)15-23(18)33(22)20-4-2-5-20;1-2-15-34(31,32)28-21-7-5-20(6-8-21)26-24(17-27)23-10-9-22(29-11-13-33-14-12-29)16-25(23)30(26)18-19-3-4-19/h7-10,15-16,18,21-22H,4-6,11-14H2,1-3H3,(H,31,33);2*6-9,14-15,17,19-20H,3-5,10-13H2,1-2H3,(H,31,33);8-13,16,19-20H,3-7,14-15,18H2,1-2H3,(H,30,33);2*5-11,16,19,21H,2-4,13-15H2,1H3,(H,32,34);5-10,15,18-19H,3-4,11-14,17H2,1-2H3,(H,29,32);6-12,17,20,22H,3-5,14-16H2,1-2H3,(H,29,31);3,6-16,20H,2,4-5H2,1H3,(H,32,34);5-10,16,19,28H,2-4,11-15,18H2,1H3/t;;;;16-,21?;16-;;;16-;/m....11..1./s1
InChIKeyKXYJPSXKSHBIEA-HGTCFSMZSA-N
MW4912.02 g/mol
LogP61.90
Rot. Bonds63

About N-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]propane-1-sulfonamide;propan-2-yl N-[2-chloro-4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-fluorophenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-methylphenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-piperidin-1-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate

N-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]propane-1-sulfonamide;propan-2-yl N-[2-chloro-4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-fluorophenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-methylphenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-piperidin-1-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate (PubChem CID 159273035) has the molecular formula C273H289ClF10N34O38S and a molecular weight of 4912.02 g/mol. Its IUPAC name is N-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]propane-1-sulfonamide;propan-2-yl N-[2-chloro-4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-fluorophenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-methylphenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-piperidin-1-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound NameN-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]propane-1-sulfonamide;propan-2-yl N-[2-chloro-4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-fluorophenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-methylphenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-piperidin-1-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate
PubChem CID159273035
Molecular FormulaC273H289ClF10N34O38S
Molecular Weight4912.02 g/mol
Exact Mass4908.10
IUPAC NameN-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]propane-1-sulfonamide;propan-2-yl N-[2-chloro-4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-fluorophenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-methylphenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-piperidin-1-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2c(C#N)c3cc(OC4COCOC4)ccc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCCCC4)cc3n2CC2CC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCOCC4)cc3n2CC2CC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1Cl.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1F.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCOCC4)cc3n2CC2CC2)cc1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4COCOC4)cc3n2C2CCC2)cc1)C(F)(F)F.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC4COCO4)cc3n2C2CCC2)cc1)C(F)(F)F.C[C@@H](OC(=O)Nc1ccc(-c2cc3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1)C(F)(F)F.Cc1cc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)ccc1NC(=O)OC(C)C
InChIInChI=1S/C29H33N3O4.C28H30ClN3O4.C28H30FN3O4.C28H32N4O2.2C27H26F3N3O5.C27H30N4O3.C27H29N3O5.C26H23F3N4O3.C26H30N4O3S/c1-18(2)35-29(33)31-26-10-7-20(15-19(26)3)28-25(17-30)24-9-8-23(36-22-11-13-34-14-12-22)16-27(24)32(28)21-5-4-6-21;2*1-17(2)35-28(33)31-25-9-6-18(14-24(25)29)27-23(16-30)22-8-7-21(36-20-10-12-34-13-11-20)15-26(22)32(27)19-4-3-5-19;1-19(2)34-28(33)30-22-10-8-21(9-11-22)27-25(17-29)24-13-12-23(31-14-4-3-5-15-31)16-26(24)32(27)18-20-6-7-20;1-16(27(28,29)30)38-26(34)32-18-7-5-17(6-8-18)25-23(12-31)22-10-9-20(36-14-21-13-35-15-37-21)11-24(22)33(25)19-3-2-4-19;1-16(27(28,29)30)37-26(34)32-18-7-5-17(6-8-18)25-23(12-31)22-10-9-20(38-21-13-35-15-36-14-21)11-24(22)33(25)19-3-2-4-19;1-18(2)34-27(32)29-21-7-5-20(6-8-21)26-24(16-28)23-10-9-22(30-11-13-33-14-12-30)15-25(23)31(26)17-19-3-4-19;1-17(2)34-27(31)29-19-8-6-18(7-9-19)26-24(13-28)23-12-21(35-22-14-32-16-33-15-22)10-11-25(23)30(26)20-4-3-5-20;1-16(26(27,28)29)35-25(34)32-19-9-6-17(7-10-19)22-14-18-8-11-21(36-24-30-12-3-13-31-24)15-23(18)33(22)20-4-2-5-20;1-2-15-34(31,32)28-21-7-5-20(6-8-21)26-24(17-27)23-10-9-22(29-11-13-33-14-12-29)16-25(23)30(26)18-19-3-4-19/h7-10,15-16,18,21-22H,4-6,11-14H2,1-3H3,(H,31,33);2*6-9,14-15,17,19-20H,3-5,10-13H2,1-2H3,(H,31,33);8-13,16,19-20H,3-7,14-15,18H2,1-2H3,(H,30,33);2*5-11,16,19,21H,2-4,13-15H2,1H3,(H,32,34);5-10,15,18-19H,3-4,11-14,17H2,1-2H3,(H,29,32);6-12,17,20,22H,3-5,14-16H2,1-2H3,(H,29,31);3,6-16,20H,2,4-5H2,1H3,(H,32,34);5-10,16,19,28H,2-4,11-15,18H2,1H3/t;;;;16-,21?;16-;;;16-;/m....11..1./s1
InChIKeyKXYJPSXKSHBIEA-HGTCFSMZSA-N
XLogP61.90
TPSA856.19 Ų
H-Bond Donors10
H-Bond Acceptors62
Rotatable Bonds63
Heavy Atoms357
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004912.02
LogP ≤ 561.90
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1062

Analyze N-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]propane-1-sulfonamide;propan-2-yl N-[2-chloro-4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-fluorophenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-methylphenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-piperidin-1-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]propane-1-sulfonamide;propan-2-yl N-[2-chloro-4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-fluorophenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-methylphenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-piperidin-1-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate?
The IUPAC name of N-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]propane-1-sulfonamide;propan-2-yl N-[2-chloro-4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-fluorophenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-methylphenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-piperidin-1-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate (CID 159273035) is N-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]propane-1-sulfonamide;propan-2-yl N-[2-chloro-4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-fluorophenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-methylphenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-piperidin-1-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate.
What is the SMILES notation for N-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]propane-1-sulfonamide;propan-2-yl N-[2-chloro-4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-fluorophenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-methylphenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-piperidin-1-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate?
The canonical SMILES for N-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]propane-1-sulfonamide;propan-2-yl N-[2-chloro-4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-fluorophenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-methylphenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-piperidin-1-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate is CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3cc(OC4COCOC4)ccc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCCCC4)cc3n2CC2CC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCOCC4)cc3n2CC2CC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1Cl.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1F.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCOCC4)cc3n2CC2CC2)cc1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4COCOC4)cc3n2C2CCC2)cc1)C(F)(F)F.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC4COCO4)cc3n2C2CCC2)cc1)C(F)(F)F.C[C@@H](OC(=O)Nc1ccc(-c2cc3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1)C(F)(F)F.Cc1cc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)ccc1NC(=O)OC(C)C.
What is the InChIKey of N-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]propane-1-sulfonamide;propan-2-yl N-[2-chloro-4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-fluorophenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-methylphenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-piperidin-1-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate?
The InChIKey is KXYJPSXKSHBIEA-HGTCFSMZSA-N. The full InChI is InChI=1S/C29H33N3O4.C28H30ClN3O4.C28H30FN3O4.C28H32N4O2.2C27H26F3N3O5.C27H30N4O3.C27H29N3O5.C26H23F3N4O3.C26H30N4O3S/c1-18(2)35-29(33)31-26-10-7-20(15-19(26)3)28-25(17-30)24-9-8-23(36-22-11-13-34-14-12-22)16-27(24)32(28)21-5-4-6-21;2*1-17(2)35-28(33)31-25-9-6-18(14-24(25)29)27-23(16-30)22-8-7-21(36-20-10-12-34-13-11-20)15-26(22)32(27)19-4-3-5-19;1-19(2)34-28(33)30-22-10-8-21(9-11-22)27-25(17-29)24-13-12-23(31-14-4-3-5-15-31)16-26(24)32(27)18-20-6-7-20;1-16(27(28,29)30)38-26(34)32-18-7-5-17(6-8-18)25-23(12-31)22-10-9-20(36-14-21-13-35-15-37-21)11-24(22)33(25)19-3-2-4-19;1-16(27(28,29)30)37-26(34)32-18-7-5-17(6-8-18)25-23(12-31)22-10-9-20(38-21-13-35-15-36-14-21)11-24(22)33(25)19-3-2-4-19;1-18(2)34-27(32)29-21-7-5-20(6-8-21)26-24(16-28)23-10-9-22(30-11-13-33-14-12-30)15-25(23)31(26)17-19-3-4-19;1-17(2)34-27(31)29-19-8-6-18(7-9-19)26-24(13-28)23-12-21(35-22-14-32-16-33-15-22)10-11-25(23)30(26)20-4-3-5-20;1-16(26(27,28)29)35-25(34)32-19-9-6-17(7-10-19)22-14-18-8-11-21(36-24-30-12-3-13-31-24)15-23(18)33(22)20-4-2-5-20;1-2-15-34(31,32)28-21-7-5-20(6-8-21)26-24(17-27)23-10-9-22(29-11-13-33-14-12-29)16-25(23)30(26)18-19-3-4-19/h7-10,15-16,18,21-22H,4-6,11-14H2,1-3H3,(H,31,33);2*6-9,14-15,17,19-20H,3-5,10-13H2,1-2H3,(H,31,33);8-13,16,19-20H,3-7,14-15,18H2,1-2H3,(H,30,33);2*5-11,16,19,21H,2-4,13-15H2,1H3,(H,32,34);5-10,15,18-19H,3-4,11-14,17H2,1-2H3,(H,29,32);6-12,17,20,22H,3-5,14-16H2,1-2H3,(H,29,31);3,6-16,20H,2,4-5H2,1H3,(H,32,34);5-10,16,19,28H,2-4,11-15,18H2,1H3/t;;;;16-,21?;16-;;;16-;/m....11..1./s1.
What are the key properties of N-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]propane-1-sulfonamide;propan-2-yl N-[2-chloro-4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-fluorophenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-methylphenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-piperidin-1-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate?
N-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]propane-1-sulfonamide;propan-2-yl N-[2-chloro-4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-fluorophenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-methylphenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-piperidin-1-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate has a molecular weight of 4912.02 g/mol, XLogP of 61.90, 63 rotatable bonds, 10 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]propane-1-sulfonamide;propan-2-yl N-[2-chloro-4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-fluorophenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-methylphenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-piperidin-1-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 159273035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).