About 1-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
1-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate (PubChem CID 158093034) has the molecular formula C215H233Cl2N39O24
and a molecular weight of 3818.38 g/mol. Its IUPAC name is 1-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate.
Frequently Asked Questions
What is the IUPAC name of 1-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate?
The IUPAC name of 1-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate (CID 158093034) is 1-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for 1-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate?
The canonical SMILES for 1-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate is CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4COCOC4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCc4nccn4C)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncnn4C)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(Cl)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CCOc1ccc2c(Cl)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.Cc1nc(CCOc2ccc3c(C#N)c(-c4ccc(NC(=O)NC(C)C)cc4)n(C4CCC4)c3c2)no1.Cc1nnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)NC(C)C)cc4)n(C4CCC4)c3c2)o1.Cc1noc(CCOc2ccc3c(C#N)c(-c4ccc(NC(=O)NC(C)C)cc4)n(C4CCC4)c3c2)n1.
What is the InChIKey of 1-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate?
The InChIKey is FOIKGGBESCUVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O2.2C28H30N6O3.C27H31ClN2O4.C27H30N4O4.C26H27N7O2.C26H26N6O3.C24H27ClN2O3/c1-19(2)32-29(36)33-21-9-7-20(8-10-21)28-25(18-30)24-12-11-23(17-26(24)35(28)22-5-4-6-22)37-16-13-27-31-14-15-34(27)3;1-17(2)30-28(35)32-20-9-7-19(8-10-20)27-24(16-29)23-12-11-22(15-25(23)34(27)21-5-4-6-21)36-14-13-26-31-18(3)37-33-26;1-17(2)30-28(35)32-20-9-7-19(8-10-20)27-24(16-29)23-12-11-22(15-25(23)34(27)21-5-4-6-21)36-14-13-26-31-18(3)33-37-26;1-17(2)33-27(31)29-19-8-6-18(7-9-19)26-25(28)23-11-10-22(34-21-12-14-32-15-13-21)16-24(23)30(26)20-4-3-5-20;1-17(2)29-27(32)30-19-8-6-18(7-9-19)26-24(13-28)23-11-10-21(35-22-14-33-16-34-15-22)12-25(23)31(26)20-4-3-5-20;1-16(2)30-25(34)31-18-9-7-17(8-10-18)24-22(14-27)21-12-11-20(35-26-28-15-29-32(26)3)13-23(21)33(24)19-5-4-6-19;1-15(2)28-25(33)29-18-9-7-17(8-10-18)24-22(14-27)21-12-11-20(35-26-31-30-16(3)34-26)13-23(21)32(24)19-5-4-6-19;1-4-29-19-12-13-20-21(14-19)27(18-6-5-7-18)23(22(20)25)16-8-10-17(11-9-16)26-24(28)30-15(2)3/h7-12,14-15,17,19,22H,4-6,13,16H2,1-3H3,(H2,32,33,36);2*7-12,15,17,21H,4-6,13-14H2,1-3H3,(H2,30,32,35);6-11,16-17,20-21H,3-5,12-15H2,1-2H3,(H,29,31);6-12,17,20,22H,3-5,14-16H2,1-2H3,(H2,29,30,32);7-13,15-16,19H,4-6H2,1-3H3,(H2,30,31,34);7-13,15,19H,4-6H2,1-3H3,(H2,28,29,33);8-15,18H,4-7H2,1-3H3,(H,26,28).
What are the key properties of 1-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate?
1-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate has a molecular weight of 3818.38 g/mol, XLogP of 47.99, 54 rotatable bonds, 14 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 158093034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).