About 1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(1-methylimidazol-2-yl)oxyindole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indole-3-carbonitrile;1-cyclopropyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(1-methylimidazol-2-yl)oxyindole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indole-3-carbonitrile;1-cyclopropyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate (PubChem CID 157059620) has the molecular formula C218H246N36O35P6S2
and a molecular weight of 4180.56 g/mol. Its IUPAC name is 1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(1-methylimidazol-2-yl)oxyindole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indole-3-carbonitrile;1-cyclopropyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate.
Frequently Asked Questions
What is the IUPAC name of 1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(1-methylimidazol-2-yl)oxyindole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indole-3-carbonitrile;1-cyclopropyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate?
The IUPAC name of 1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(1-methylimidazol-2-yl)oxyindole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indole-3-carbonitrile;1-cyclopropyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate (CID 157059620) is 1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(1-methylimidazol-2-yl)oxyindole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indole-3-carbonitrile;1-cyclopropyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for 1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(1-methylimidazol-2-yl)oxyindole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indole-3-carbonitrile;1-cyclopropyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate?
The canonical SMILES for 1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(1-methylimidazol-2-yl)oxyindole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indole-3-carbonitrile;1-cyclopropyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate is CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3cc(OC4CCOCC4)ccc3n2C2CCC2)cc1.CCOP(=O)(Nc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CC2)cc1)OCC.CCOP(=O)(Nc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)OCC.CCOP(=O)(Nc1ccc(-c2c(C#N)c3ccc(OCc4noc(C)n4)cc3n2C2CCC2)cc1)OCC.CCOP(=O)(Nc1ccc(-c2c(C#N)c3ccc(Oc4nccn4C)cc3n2C2CCC2)cc1)OCC.CCOP(=O)(Nc1ccc(-c2c(C#N)c3ccc(S(=O)(=O)CCn4cncn4)cc3n2C2CCC2)cc1)OCC.CCOP(=O)(Nc1ccc(-c2c(C#N)c3ccc(SCCn4cncn4)cc3n2C2CCC2)cc1)OCC.Cc1nc(COc2ccc3c(c2)c(C#N)c(-c2ccc(NC(=O)OC(C)C)cc2)n3C2CCC2)no1.
What is the InChIKey of 1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(1-methylimidazol-2-yl)oxyindole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indole-3-carbonitrile;1-cyclopropyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate?
The InChIKey is ABEFEEXCXYEIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N3O5P.C28H31N3O4.C27H31N6O5PS.C27H31N6O3PS.C27H30N5O5P.C27H30N5O4P.C27H27N5O4.C27H32N3O5P/c1-3-34-37(32,35-4-2)30-21-10-8-20(9-11-21)28-26(19-29)25-13-12-24(36-23-14-16-33-17-15-23)18-27(25)31(28)22-6-5-7-22;1-18(2)34-28(32)30-20-8-6-19(7-9-20)27-25(17-29)24-16-23(35-22-12-14-33-15-13-22)10-11-26(24)31(27)21-4-3-5-21;1-3-37-39(34,38-4-2)31-21-10-8-20(9-11-21)27-25(17-28)24-13-12-23(16-26(24)33(27)22-6-5-7-22)40(35,36)15-14-32-19-29-18-30-32;1-3-35-37(34,36-4-2)31-21-10-8-20(9-11-21)27-25(17-28)24-13-12-23(38-15-14-32-19-29-18-30-32)16-26(24)33(27)22-6-5-7-22;1-4-35-38(33,36-5-2)31-20-11-9-19(10-12-20)27-24(16-28)23-14-13-22(34-17-26-29-18(3)37-30-26)15-25(23)32(27)21-7-6-8-21;1-4-34-37(33,35-5-2)30-20-11-9-19(10-12-20)26-24(18-28)23-14-13-22(36-27-29-15-16-31(27)3)17-25(23)32(26)21-7-6-8-21;1-16(2)35-27(33)30-19-9-7-18(8-10-19)26-23(14-28)22-13-21(34-15-25-29-17(3)36-31-25)11-12-24(22)32(26)20-5-4-6-20;1-3-33-36(31,34-4-2)29-20-7-5-19(6-8-20)27-25(18-28)24-12-11-23(35-22-13-15-32-16-14-22)17-26(24)30(27)21-9-10-21/h8-13,18,22-23H,3-7,14-17H2,1-2H3,(H,30,32);6-11,16,18,21-22H,3-5,12-15H2,1-2H3,(H,30,32);8-13,16,18-19,22H,3-7,14-15H2,1-2H3,(H,31,34);8-13,16,18-19,22H,3-7,14-15H2,1-2H3,(H,31,34);9-15,21H,4-8,17H2,1-3H3,(H,31,33);9-17,21H,4-8H2,1-3H3,(H,30,33);7-13,16,20H,4-6,15H2,1-3H3,(H,30,33);5-8,11-12,17,21-22H,3-4,9-10,13-16H2,1-2H3,(H,29,31).
What are the key properties of 1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(1-methylimidazol-2-yl)oxyindole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indole-3-carbonitrile;1-cyclopropyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate?
1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(1-methylimidazol-2-yl)oxyindole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indole-3-carbonitrile;1-cyclopropyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate has a molecular weight of 4180.56 g/mol, XLogP of 52.51, 78 rotatable bonds, 8 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(1-methylimidazol-2-yl)oxyindole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indole-3-carbonitrile;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indole-3-carbonitrile;1-cyclopropyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 157059620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).