1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate

C236H243N39O28 — CID 158245969

IUPAC1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate
SMILESCC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4COCOC4)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCc4nccn4C)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4nccn4C)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncnn4C)cc3n2C2CCC2)cc1)C1CC1.Cc1cn(C)c(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C5CC5)cc4)n(C4CCC4)c3c2)n1.Cc1cnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C5CC5)cc4)n(C4CCC4)c3c2)n1C.Cc1noc(CCOc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C5CC5)cc4)n(C4CCC4)c3c2)n1.Cc1noc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C5CC5)cc4)n(C4CCC4)c3c2)n1
InChIInChI=1S/C31H33N5O3.C30H31N5O4.2C30H31N5O3.C29H29N5O4.C29H29N5O3.C29H31N3O5.C28H28N6O3/c1-20(21-6-7-21)39-31(37)34-23-10-8-22(9-11-23)30-27(19-32)26-13-12-25(18-28(26)36(30)24-4-3-5-24)38-17-14-29-33-15-16-35(29)2;1-18(20-6-7-20)38-30(36)33-22-10-8-21(9-11-22)29-26(17-31)25-13-12-24(16-27(25)35(29)23-4-3-5-23)37-15-14-28-32-19(2)34-39-28;1-18-17-34(3)29(32-18)38-24-13-14-25-26(16-31)28(35(27(25)15-24)23-5-4-6-23)21-9-11-22(12-10-21)33-30(36)37-19(2)20-7-8-20;1-18-17-32-29(34(18)3)38-24-13-14-25-26(16-31)28(35(27(25)15-24)23-5-4-6-23)21-9-11-22(12-10-21)33-30(36)37-19(2)20-7-8-20;1-17(19-6-7-19)37-29(35)32-21-10-8-20(9-11-21)28-25(15-30)24-13-12-23(36-16-27-31-18(2)33-38-27)14-26(24)34(28)22-4-3-5-22;1-18(19-6-7-19)36-29(35)32-21-10-8-20(9-11-21)27-25(17-30)24-13-12-23(37-28-31-14-15-33(28)2)16-26(24)34(27)22-4-3-5-22;1-18(19-5-6-19)36-29(33)31-21-9-7-20(8-10-21)28-26(14-30)25-12-11-23(37-24-15-34-17-35-16-24)13-27(25)32(28)22-3-2-4-22;1-17(18-6-7-18)36-28(35)32-20-10-8-19(9-11-20)26-24(15-29)23-13-12-22(37-27-30-16-31-33(27)2)14-25(23)34(26)21-4-3-5-21/h8-13,15-16,18,20-21,24H,3-7,14,17H2,1-2H3,(H,34,37);8-13,16,18,20,23H,3-7,14-15H2,1-2H3,(H,33,36);2*9-15,17,19-20,23H,4-8H2,1-3H3,(H,33,36);8-14,17,19,22H,3-7,16H2,1-2H3,(H,32,35);8-16,18-19,22H,3-7H2,1-2H3,(H,32,35);7-13,18-19,22,24H,2-6,15-17H2,1H3,(H,31,33);8-14,16-18,21H,3-7H2,1-2H3,(H,32,35)
InChIKeyGGCSQKLJHSAYDS-UHFFFAOYSA-N
MW4073.78 g/mol
LogP52.82
Rot. Bonds61

About 1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate

1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate (PubChem CID 158245969) has the molecular formula C236H243N39O28 and a molecular weight of 4073.78 g/mol. Its IUPAC name is 1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Name1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate
PubChem CID158245969
Molecular FormulaC236H243N39O28
Molecular Weight4073.78 g/mol
Exact Mass4070.88
IUPAC Name1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate
SMILESCC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4COCOC4)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCc4nccn4C)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4nccn4C)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncnn4C)cc3n2C2CCC2)cc1)C1CC1.Cc1cn(C)c(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C5CC5)cc4)n(C4CCC4)c3c2)n1.Cc1cnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C5CC5)cc4)n(C4CCC4)c3c2)n1C.Cc1noc(CCOc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C5CC5)cc4)n(C4CCC4)c3c2)n1.Cc1noc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C5CC5)cc4)n(C4CCC4)c3c2)n1
InChIInChI=1S/C31H33N5O3.C30H31N5O4.2C30H31N5O3.C29H29N5O4.C29H29N5O3.C29H31N3O5.C28H28N6O3/c1-20(21-6-7-21)39-31(37)34-23-10-8-22(9-11-23)30-27(19-32)26-13-12-25(18-28(26)36(30)24-4-3-5-24)38-17-14-29-33-15-16-35(29)2;1-18(20-6-7-20)38-30(36)33-22-10-8-21(9-11-22)29-26(17-31)25-13-12-24(16-27(25)35(29)23-4-3-5-23)37-15-14-28-32-19(2)34-39-28;1-18-17-34(3)29(32-18)38-24-13-14-25-26(16-31)28(35(27(25)15-24)23-5-4-6-23)21-9-11-22(12-10-21)33-30(36)37-19(2)20-7-8-20;1-18-17-32-29(34(18)3)38-24-13-14-25-26(16-31)28(35(27(25)15-24)23-5-4-6-23)21-9-11-22(12-10-21)33-30(36)37-19(2)20-7-8-20;1-17(19-6-7-19)37-29(35)32-21-10-8-20(9-11-21)28-25(15-30)24-13-12-23(36-16-27-31-18(2)33-38-27)14-26(24)34(28)22-4-3-5-22;1-18(19-6-7-19)36-29(35)32-21-10-8-20(9-11-21)27-25(17-30)24-13-12-23(37-28-31-14-15-33(28)2)16-26(24)34(27)22-4-3-5-22;1-18(19-5-6-19)36-29(33)31-21-9-7-20(8-10-21)28-26(14-30)25-12-11-23(37-24-15-34-17-35-16-24)13-27(25)32(28)22-3-2-4-22;1-17(18-6-7-18)36-28(35)32-20-10-8-19(9-11-20)26-24(15-29)23-13-12-22(37-27-30-16-31-33(27)2)14-25(23)34(26)21-4-3-5-21/h8-13,15-16,18,20-21,24H,3-7,14,17H2,1-2H3,(H,34,37);8-13,16,18,20,23H,3-7,14-15H2,1-2H3,(H,33,36);2*9-15,17,19-20,23H,4-8H2,1-3H3,(H,33,36);8-14,17,19,22H,3-7,16H2,1-2H3,(H,32,35);8-16,18-19,22H,3-7H2,1-2H3,(H,32,35);7-13,18-19,22,24H,2-6,15-17H2,1H3,(H,31,33);8-14,16-18,21H,3-7H2,1-2H3,(H,32,35)
InChIKeyGGCSQKLJHSAYDS-UHFFFAOYSA-N
XLogP52.82
TPSA808.53 Ų
H-Bond Donors8
H-Bond Acceptors59
Rotatable Bonds61
Heavy Atoms303
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004073.78
LogP ≤ 552.82
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1059

Analyze 1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate?
The IUPAC name of 1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate (CID 158245969) is 1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate.
What is the SMILES notation for 1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate?
The canonical SMILES for 1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate is CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4COCOC4)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCc4nccn4C)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4nccn4C)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncnn4C)cc3n2C2CCC2)cc1)C1CC1.Cc1cn(C)c(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C5CC5)cc4)n(C4CCC4)c3c2)n1.Cc1cnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C5CC5)cc4)n(C4CCC4)c3c2)n1C.Cc1noc(CCOc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C5CC5)cc4)n(C4CCC4)c3c2)n1.Cc1noc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C5CC5)cc4)n(C4CCC4)c3c2)n1.
What is the InChIKey of 1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate?
The InChIKey is GGCSQKLJHSAYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N5O3.C30H31N5O4.2C30H31N5O3.C29H29N5O4.C29H29N5O3.C29H31N3O5.C28H28N6O3/c1-20(21-6-7-21)39-31(37)34-23-10-8-22(9-11-23)30-27(19-32)26-13-12-25(18-28(26)36(30)24-4-3-5-24)38-17-14-29-33-15-16-35(29)2;1-18(20-6-7-20)38-30(36)33-22-10-8-21(9-11-22)29-26(17-31)25-13-12-24(16-27(25)35(29)23-4-3-5-23)37-15-14-28-32-19(2)34-39-28;1-18-17-34(3)29(32-18)38-24-13-14-25-26(16-31)28(35(27(25)15-24)23-5-4-6-23)21-9-11-22(12-10-21)33-30(36)37-19(2)20-7-8-20;1-18-17-32-29(34(18)3)38-24-13-14-25-26(16-31)28(35(27(25)15-24)23-5-4-6-23)21-9-11-22(12-10-21)33-30(36)37-19(2)20-7-8-20;1-17(19-6-7-19)37-29(35)32-21-10-8-20(9-11-21)28-25(15-30)24-13-12-23(36-16-27-31-18(2)33-38-27)14-26(24)34(28)22-4-3-5-22;1-18(19-6-7-19)36-29(35)32-21-10-8-20(9-11-21)27-25(17-30)24-13-12-23(37-28-31-14-15-33(28)2)16-26(24)34(27)22-4-3-5-22;1-18(19-5-6-19)36-29(33)31-21-9-7-20(8-10-21)28-26(14-30)25-12-11-23(37-24-15-34-17-35-16-24)13-27(25)32(28)22-3-2-4-22;1-17(18-6-7-18)36-28(35)32-20-10-8-19(9-11-20)26-24(15-29)23-13-12-22(37-27-30-16-31-33(27)2)14-25(23)34(26)21-4-3-5-21/h8-13,15-16,18,20-21,24H,3-7,14,17H2,1-2H3,(H,34,37);8-13,16,18,20,23H,3-7,14-15H2,1-2H3,(H,33,36);2*9-15,17,19-20,23H,4-8H2,1-3H3,(H,33,36);8-14,17,19,22H,3-7,16H2,1-2H3,(H,32,35);8-16,18-19,22H,3-7H2,1-2H3,(H,32,35);7-13,18-19,22,24H,2-6,15-17H2,1H3,(H,31,33);8-14,16-18,21H,3-7H2,1-2H3,(H,32,35).
What are the key properties of 1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate?
1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate has a molecular weight of 4073.78 g/mol, XLogP of 52.82, 61 rotatable bonds, 8 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 158245969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).