[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-6-(3-methylpyrazin-2-yl)oxy-1-propan-2-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate

C176H181F3N26O19 — CID 158155960

IUPAC[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-6-(3-methylpyrazin-2-yl)oxy-1-propan-2-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate
SMILESC[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCCCn4ccnc4)ccc3n2C2CCC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(C(=O)N4CCCC4)cc3n2C2CCC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1)C(F)(F)F.Cc1nccnc1Oc1ccc2c(C#N)c(-c3ccc(NC(=O)O[C@H](C)C4CC4)cc3)n(C(C)C)c2c1
InChIInChI=1S/C31H33N5O3.C30H32N4O3.C30H33N3O4.C29H29N5O3.C29H32N4O3.C27H22F3N5O3/c1-21(22-6-7-22)39-31(37)34-24-10-8-23(9-11-24)30-28(19-32)27-18-26(38-17-3-15-35-16-14-33-20-35)12-13-29(27)36(30)25-4-2-5-25;1-19(20-7-8-20)37-30(36)32-23-12-9-21(10-13-23)28-26(18-31)25-14-11-22(29(35)33-15-2-3-16-33)17-27(25)34(28)24-5-4-6-24;1-19(20-5-6-20)36-30(34)32-22-9-7-21(8-10-22)29-27(18-31)26-12-11-25(37-24-13-15-35-16-14-24)17-28(26)33(29)23-3-2-4-23;1-17(2)34-26-15-23(37-28-18(3)31-13-14-32-28)11-12-24(26)25(16-30)27(34)21-7-9-22(10-8-21)33-29(35)36-19(4)20-5-6-20;1-19(20-5-6-20)36-29(34)31-22-9-7-21(8-10-22)28-26(18-30)25-12-11-24(32-13-15-35-16-14-32)17-27(25)33(28)23-3-2-4-23;1-16(27(28,29)30)37-26(36)34-18-8-6-17(7-9-18)24-22(15-31)21-11-10-20(38-25-32-12-3-13-33-25)14-23(21)35(24)19-4-2-5-19/h8-14,16,18,20-22,25H,2-7,15,17H2,1H3,(H,34,37);9-14,17,19-20,24H,2-8,15-16H2,1H3,(H,32,36);7-12,17,19-20,23-24H,2-6,13-16H2,1H3,(H,32,34);7-15,17,19-20H,5-6H2,1-4H3,(H,33,35);7-12,17,19-20,23H,2-6,13-16H2,1H3,(H,31,34);3,6-14,16,19H,2,4-5H2,1H3,(H,34,36)/t21-;4*19-;16-/m111111/s1
InChIKeyFVRNNPSROKZGLV-HFNVIUJYSA-N
MW3021.54 g/mol
LogP40.29
Rot. Bonds42

About [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-6-(3-methylpyrazin-2-yl)oxy-1-propan-2-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate

[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-6-(3-methylpyrazin-2-yl)oxy-1-propan-2-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate (PubChem CID 158155960) has the molecular formula C176H181F3N26O19 and a molecular weight of 3021.54 g/mol. Its IUPAC name is [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-6-(3-methylpyrazin-2-yl)oxy-1-propan-2-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Name[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-6-(3-methylpyrazin-2-yl)oxy-1-propan-2-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate
PubChem CID158155960
Molecular FormulaC176H181F3N26O19
Molecular Weight3021.54 g/mol
Exact Mass3019.39
IUPAC Name[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-6-(3-methylpyrazin-2-yl)oxy-1-propan-2-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate
SMILESC[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCCCn4ccnc4)ccc3n2C2CCC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(C(=O)N4CCCC4)cc3n2C2CCC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1)C(F)(F)F.Cc1nccnc1Oc1ccc2c(C#N)c(-c3ccc(NC(=O)O[C@H](C)C4CC4)cc3)n(C(C)C)c2c1
InChIInChI=1S/C31H33N5O3.C30H32N4O3.C30H33N3O4.C29H29N5O3.C29H32N4O3.C27H22F3N5O3/c1-21(22-6-7-22)39-31(37)34-24-10-8-23(9-11-24)30-28(19-32)27-18-26(38-17-3-15-35-16-14-33-20-35)12-13-29(27)36(30)25-4-2-5-25;1-19(20-7-8-20)37-30(36)32-23-12-9-21(10-13-23)28-26(18-31)25-14-11-22(29(35)33-15-2-3-16-33)17-27(25)34(28)24-5-4-6-24;1-19(20-5-6-20)36-30(34)32-22-9-7-21(8-10-22)29-27(18-31)26-12-11-25(37-24-13-15-35-16-14-24)17-28(26)33(29)23-3-2-4-23;1-17(2)34-26-15-23(37-28-18(3)31-13-14-32-28)11-12-24(26)25(16-30)27(34)21-7-9-22(10-8-21)33-29(35)36-19(4)20-5-6-20;1-19(20-5-6-20)36-29(34)31-22-9-7-21(8-10-22)28-26(18-30)25-12-11-24(32-13-15-35-16-14-32)17-27(25)33(28)23-3-2-4-23;1-16(27(28,29)30)37-26(36)34-18-8-6-17(7-9-18)24-22(15-31)21-11-10-20(38-25-32-12-3-13-33-25)14-23(21)35(24)19-4-2-5-19/h8-14,16,18,20-22,25H,2-7,15,17H2,1H3,(H,34,37);9-14,17,19-20,24H,2-8,15-16H2,1H3,(H,32,36);7-12,17,19-20,23-24H,2-6,13-16H2,1H3,(H,32,34);7-15,17,19-20H,5-6H2,1-4H3,(H,33,35);7-12,17,19-20,23H,2-6,13-16H2,1H3,(H,31,34);3,6-14,16,19H,2,4-5H2,1H3,(H,34,36)/t21-;4*19-;16-/m111111/s1
InChIKeyFVRNNPSROKZGLV-HFNVIUJYSA-N
XLogP40.29
TPSA550.61 Ų
H-Bond Donors6
H-Bond Acceptors38
Rotatable Bonds42
Heavy Atoms224
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003021.54
LogP ≤ 540.29
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-6-(3-methylpyrazin-2-yl)oxy-1-propan-2-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate with MolForge

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Related Compounds

1-cyclobutyl-2-[4-(ethylsulfamoylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-(methylsulfamoylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-fluoroindol-2-yl]phenyl]carbamate;[(1R)-1-(4-fluorophenyl)ethyl] N-[4-(3-cyano-1-cyclobutyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(1R)-1-(4-fluorophenyl)ethyl] N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;[(1R)-1-(4-fluorophenyl)ethyl] N-[4-[3-cyano-1-cyclopropyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate
CID 157267853
CID 157628918
CID 157628918
N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]-3-methylbutanamide;N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]-2-methylpropane-1-sulfonamide;1-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]-3-propan-2-ylurea;N-[4-[3-cyano-1-propan-2-yl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-pyridin-2-ylindole-3-carbonitrile;1-cyclobutyl-2-[4-(3-methylbutylamino)phenyl]-6-pyridin-2-ylindole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yl)indol-2-yl]phenyl]carbamate;1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]carbamate
CID 157767149
CID 157892881
CID 157892881
N-[3-chloro-4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]propane-1-sulfonamide;N-[3-chloro-4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,1-dioxothiazetidin-2-yl)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[5-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-pyridinyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(2-oxo-1-pyridinyl)indol-2-yl]phenyl]carbamate
CID 157899828
N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-(cyclopropylmethyl)indol-2-yl]phenyl]cyclobutanesulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]propane-1-sulfonamide;1-cyclobutyl-5-(2,2-difluoroethoxy)-2-[4-(2,2-difluoroethylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-2-[4-[(1,1-dioxothian-4-yl)amino]phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2-fluoroethoxy)indol-2-yl]-2-(trifluoromethyl)phenyl]carbamate
CID 158050207
CID 158091194
CID 158091194
CID 158544701
CID 158544701
2-[4-(azetidine-1-carbonyl)phenyl]-1-cyclobutyl-6-(2-methoxyethoxy)indole-3-carbonitrile;4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N,N-diethylbenzamide;4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-propan-2-ylbenzamide;1-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]propane-2-sulfonamide;1-cyclobutyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-6-(2-methoxyethoxy)-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-[4-(trifluoromethyl)phenyl]ethyl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate
CID 158780872
CID 158838872
CID 158838872
N-[4-(3-cyano-1-cyclobutyl-6-pyrazin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-propan-2-yl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yl)indol-2-yl]phenyl]carbamate;1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propan-2-yl-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile
CID 159580923
N-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-cyclopropyl-6-(difluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazin-2-yloxyindol-2-yl)phenyl]carbamate
CID 159903105

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-6-(3-methylpyrazin-2-yl)oxy-1-propan-2-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate?
The IUPAC name of [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-6-(3-methylpyrazin-2-yl)oxy-1-propan-2-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate (CID 158155960) is [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-6-(3-methylpyrazin-2-yl)oxy-1-propan-2-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate.
What is the SMILES notation for [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-6-(3-methylpyrazin-2-yl)oxy-1-propan-2-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate?
The canonical SMILES for [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-6-(3-methylpyrazin-2-yl)oxy-1-propan-2-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate is C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCCCn4ccnc4)ccc3n2C2CCC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(C(=O)N4CCCC4)cc3n2C2CCC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1)C(F)(F)F.Cc1nccnc1Oc1ccc2c(C#N)c(-c3ccc(NC(=O)O[C@H](C)C4CC4)cc3)n(C(C)C)c2c1.
What is the InChIKey of [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-6-(3-methylpyrazin-2-yl)oxy-1-propan-2-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate?
The InChIKey is FVRNNPSROKZGLV-HFNVIUJYSA-N. The full InChI is InChI=1S/C31H33N5O3.C30H32N4O3.C30H33N3O4.C29H29N5O3.C29H32N4O3.C27H22F3N5O3/c1-21(22-6-7-22)39-31(37)34-24-10-8-23(9-11-24)30-28(19-32)27-18-26(38-17-3-15-35-16-14-33-20-35)12-13-29(27)36(30)25-4-2-5-25;1-19(20-7-8-20)37-30(36)32-23-12-9-21(10-13-23)28-26(18-31)25-14-11-22(29(35)33-15-2-3-16-33)17-27(25)34(28)24-5-4-6-24;1-19(20-5-6-20)36-30(34)32-22-9-7-21(8-10-22)29-27(18-31)26-12-11-25(37-24-13-15-35-16-14-24)17-28(26)33(29)23-3-2-4-23;1-17(2)34-26-15-23(37-28-18(3)31-13-14-32-28)11-12-24(26)25(16-30)27(34)21-7-9-22(10-8-21)33-29(35)36-19(4)20-5-6-20;1-19(20-5-6-20)36-29(34)31-22-9-7-21(8-10-22)28-26(18-30)25-12-11-24(32-13-15-35-16-14-32)17-27(25)33(28)23-3-2-4-23;1-16(27(28,29)30)37-26(36)34-18-8-6-17(7-9-18)24-22(15-31)21-11-10-20(38-25-32-12-3-13-33-25)14-23(21)35(24)19-4-2-5-19/h8-14,16,18,20-22,25H,2-7,15,17H2,1H3,(H,34,37);9-14,17,19-20,24H,2-8,15-16H2,1H3,(H,32,36);7-12,17,19-20,23-24H,2-6,13-16H2,1H3,(H,32,34);7-15,17,19-20H,5-6H2,1-4H3,(H,33,35);7-12,17,19-20,23H,2-6,13-16H2,1H3,(H,31,34);3,6-14,16,19H,2,4-5H2,1H3,(H,34,36)/t21-;4*19-;16-/m111111/s1.
What are the key properties of [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-6-(3-methylpyrazin-2-yl)oxy-1-propan-2-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate?
[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-6-(3-methylpyrazin-2-yl)oxy-1-propan-2-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate has a molecular weight of 3021.54 g/mol, XLogP of 40.29, 42 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-6-(3-methylpyrazin-2-yl)oxy-1-propan-2-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 158155960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).