About 3-cyano-1-cyclobutyl-N,N-diethyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-5-[2-(1,2,4-triazol-1-yl)ethoxy]indole-3-carbonitrile;1-cyclopropyl-6-(oxolan-3-yloxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(diethylcarbamoyl)indol-2-yl]phenyl]carbamate
3-cyano-1-cyclobutyl-N,N-diethyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-5-[2-(1,2,4-triazol-1-yl)ethoxy]indole-3-carbonitrile;1-cyclopropyl-6-(oxolan-3-yloxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(diethylcarbamoyl)indol-2-yl]phenyl]carbamate (PubChem CID 159823880) has the molecular formula C218H237N40O23PS2
and a molecular weight of 3880.66 g/mol. Its IUPAC name is 3-cyano-1-cyclobutyl-N,N-diethyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-5-[2-(1,2,4-triazol-1-yl)ethoxy]indole-3-carbonitrile;1-cyclopropyl-6-(oxolan-3-yloxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(diethylcarbamoyl)indol-2-yl]phenyl]carbamate.
Frequently Asked Questions
What is the IUPAC name of 3-cyano-1-cyclobutyl-N,N-diethyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-5-[2-(1,2,4-triazol-1-yl)ethoxy]indole-3-carbonitrile;1-cyclopropyl-6-(oxolan-3-yloxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(diethylcarbamoyl)indol-2-yl]phenyl]carbamate?
The IUPAC name of 3-cyano-1-cyclobutyl-N,N-diethyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-5-[2-(1,2,4-triazol-1-yl)ethoxy]indole-3-carbonitrile;1-cyclopropyl-6-(oxolan-3-yloxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(diethylcarbamoyl)indol-2-yl]phenyl]carbamate (CID 159823880) is 3-cyano-1-cyclobutyl-N,N-diethyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-5-[2-(1,2,4-triazol-1-yl)ethoxy]indole-3-carbonitrile;1-cyclopropyl-6-(oxolan-3-yloxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(diethylcarbamoyl)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for 3-cyano-1-cyclobutyl-N,N-diethyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-5-[2-(1,2,4-triazol-1-yl)ethoxy]indole-3-carbonitrile;1-cyclopropyl-6-(oxolan-3-yloxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(diethylcarbamoyl)indol-2-yl]phenyl]carbamate?
The canonical SMILES for 3-cyano-1-cyclobutyl-N,N-diethyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-5-[2-(1,2,4-triazol-1-yl)ethoxy]indole-3-carbonitrile;1-cyclopropyl-6-(oxolan-3-yloxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(diethylcarbamoyl)indol-2-yl]phenyl]carbamate is CC(C)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOC4)cc3n2C2CC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(C(=O)N(CC)CC)cc3n2C2CCC2)cc1.CCN(CC)C(=O)c1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.CCOP(=O)(Nc1ccc(-c2c(C#N)c3cc(OCCn4cncn4)ccc3n2C2CCC2)cc1)OCC.Cc1nc(COc2ccc3c(c2)c(C#N)c(-c2ccc(NC(=O)NC4CCC4)cc2)n3C2CCC2)no1.N#Cc1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2ccc(OC3CCOCC3)cc12.N#Cc1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2ccc(OCCn3cncn3)cc12.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2ccc(OCCn3cncn3)cc12.
What is the InChIKey of 3-cyano-1-cyclobutyl-N,N-diethyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-5-[2-(1,2,4-triazol-1-yl)ethoxy]indole-3-carbonitrile;1-cyclopropyl-6-(oxolan-3-yloxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(diethylcarbamoyl)indol-2-yl]phenyl]carbamate?
The InChIKey is NMOVCMAHKXSXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3.C28H29N7O2.C28H28N6O3.C28H32N4O3.C27H31N6O4P.C27H32N4O3S.C26H26N6O3S.C25H27N3O2/c30-18-26-25-17-24(36-23-13-15-35-16-14-23)11-12-27(25)33(22-5-2-6-22)28(26)19-7-9-21(10-8-19)32-29(34)31-20-3-1-4-20;29-16-25-24-15-23(37-14-13-34-18-30-17-31-34)11-12-26(24)35(22-5-2-6-22)27(25)19-7-9-21(10-8-19)33-28(36)32-20-3-1-4-20;1-17-30-26(33-37-17)16-36-22-12-13-25-23(14-22)24(15-29)27(34(25)21-6-3-7-21)18-8-10-20(11-9-18)32-28(35)31-19-4-2-5-19;1-5-31(6-2)27(33)20-12-15-23-24(17-29)26(32(25(23)16-20)22-8-7-9-22)19-10-13-21(14-11-19)30-28(34)35-18(3)4;1-3-36-38(34,37-4-2)31-21-10-8-20(9-11-21)27-25(17-28)24-16-23(35-15-14-32-19-29-18-30-32)12-13-26(24)33(27)22-6-5-7-22;1-4-16-35(33,34)29-21-13-10-19(11-14-21)26-24(18-28)23-15-12-20(27(32)30(5-2)6-3)17-25(23)31(26)22-8-7-9-22;27-15-24-23-14-21(35-13-12-31-17-28-16-29-31)8-11-25(23)32(20-2-1-3-20)26(24)18-4-6-19(7-5-18)30-36(33,34)22-9-10-22;1-16(2)27-18-5-3-17(4-6-18)25-23(14-26)22-10-9-20(30-21-11-12-29-15-21)13-24(22)28(25)19-7-8-19/h7-12,17,20,22-23H,1-6,13-16H2,(H2,31,32,34);7-12,15,17-18,20,22H,1-6,13-14H2,(H2,32,33,36);8-14,19,21H,2-7,16H2,1H3,(H2,31,32,35);10-16,18,22H,5-9H2,1-4H3,(H,30,34);8-13,16,18-19,22H,3-7,14-15H2,1-2H3,(H,31,34);10-15,17,22,29H,4-9,16H2,1-3H3;4-8,11,14,16-17,20,22,30H,1-3,9-10,12-13H2;3-6,9-10,13,16,19,21,27H,7-8,11-12,15H2,1-2H3.
What are the key properties of 3-cyano-1-cyclobutyl-N,N-diethyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-5-[2-(1,2,4-triazol-1-yl)ethoxy]indole-3-carbonitrile;1-cyclopropyl-6-(oxolan-3-yloxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(diethylcarbamoyl)indol-2-yl]phenyl]carbamate?
3-cyano-1-cyclobutyl-N,N-diethyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-5-[2-(1,2,4-triazol-1-yl)ethoxy]indole-3-carbonitrile;1-cyclopropyl-6-(oxolan-3-yloxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(diethylcarbamoyl)indol-2-yl]phenyl]carbamate has a molecular weight of 3880.66 g/mol, XLogP of 45.27, 64 rotatable bonds, 11 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-1-cyclobutyl-N,N-diethyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-5-[2-(1,2,4-triazol-1-yl)ethoxy]indole-3-carbonitrile;1-cyclopropyl-6-(oxolan-3-yloxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(diethylcarbamoyl)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 159823880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).