1-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(trifluoromethyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]urea

C235H250ClF9N26O20 — CID 160537771

IUPAC1-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(trifluoromethyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]urea
SMILESCCOc1ccc2c(C#CC#N)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#CC(F)(F)F)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#CC3CC3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C(F)(F)F)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.N#CC#Cc1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.O=C(Nc1ccc(-c2c(C#CC(F)(F)F)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1.O=C(Nc1ccc(-c2c(C#CC3CC3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1.O=C(Nc1ccc(-c2c(Cl)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1
InChIInChI=1S/C33H37N3O3.C31H32F3N3O3.C31H32N4O3.C30H33N3O2.C28H32ClN3O3.C28H28F3N3O2.C28H28N4O2.C26H28F3N3O2/c37-33(34-24-3-1-4-24)35-25-12-10-23(11-13-25)32-30(15-9-22-7-8-22)29-16-14-28(39-27-17-19-38-20-18-27)21-31(29)36(32)26-5-2-6-26;32-31(33,34)16-13-27-26-12-11-25(40-24-14-17-39-18-15-24)19-28(26)37(23-5-2-6-23)29(27)20-7-9-22(10-8-20)36-30(38)35-21-3-1-4-21;32-17-3-8-28-27-14-13-26(38-25-15-18-37-19-16-25)20-29(27)35(24-6-2-7-24)30(28)21-9-11-23(12-10-21)34-31(36)33-22-4-1-5-22;1-2-35-25-16-18-26-27(17-11-20-9-10-20)29(33(28(26)19-25)24-7-4-8-24)21-12-14-23(15-13-21)32-30(34)31-22-5-3-6-22;29-26-24-12-11-23(35-22-13-15-34-16-14-22)17-25(24)32(21-5-2-6-21)27(26)18-7-9-20(10-8-18)31-28(33)30-19-3-1-4-19;1-2-36-22-13-14-23-24(15-16-28(29,30)31)26(34(25(23)17-22)21-7-4-8-21)18-9-11-20(12-10-18)33-27(35)32-19-5-3-6-19;1-2-34-23-15-16-24-25(10-5-17-29)27(32(26(24)18-23)22-8-4-9-22)19-11-13-21(14-12-19)31-28(33)30-20-6-3-7-20;1-2-34-20-13-14-21-22(15-20)32(19-7-4-8-19)24(23(21)26(27,28)29)16-9-11-18(12-10-16)31-25(33)30-17-5-3-6-17/h10-14,16,21-22,24,26-27H,1-8,17-20H2,(H2,34,35,37);7-12,19,21,23-24H,1-6,14-15,17-18H2,(H2,35,36,38);9-14,20,22,24-25H,1-2,4-7,15-16,18-19H2,(H2,33,34,36);12-16,18-20,22,24H,2-10H2,1H3,(H2,31,32,34);7-12,17,19,21-22H,1-6,13-16H2,(H2,30,31,33);9-14,17,19,21H,2-8H2,1H3,(H2,32,33,35);11-16,18,20,22H,2-4,6-9H2,1H3,(H2,30,31,33);9-15,17,19H,2-8H2,1H3,(H2,30,31,33)
InChIKeyQWJPJHSPGVLBLF-UHFFFAOYSA-N
MW3965.18 g/mol
LogP54.26
Rot. Bonds48

About 1-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(trifluoromethyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]urea

1-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(trifluoromethyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]urea (PubChem CID 160537771) has the molecular formula C235H250ClF9N26O20 and a molecular weight of 3965.18 g/mol. Its IUPAC name is 1-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(trifluoromethyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]urea.

Molecular Properties

Compound Name1-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(trifluoromethyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]urea
PubChem CID160537771
Molecular FormulaC235H250ClF9N26O20
Molecular Weight3965.18 g/mol
Exact Mass3961.89
IUPAC Name1-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(trifluoromethyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]urea
SMILESCCOc1ccc2c(C#CC#N)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#CC(F)(F)F)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#CC3CC3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C(F)(F)F)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.N#CC#Cc1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.O=C(Nc1ccc(-c2c(C#CC(F)(F)F)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1.O=C(Nc1ccc(-c2c(C#CC3CC3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1.O=C(Nc1ccc(-c2c(Cl)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1
InChIInChI=1S/C33H37N3O3.C31H32F3N3O3.C31H32N4O3.C30H33N3O2.C28H32ClN3O3.C28H28F3N3O2.C28H28N4O2.C26H28F3N3O2/c37-33(34-24-3-1-4-24)35-25-12-10-23(11-13-25)32-30(15-9-22-7-8-22)29-16-14-28(39-27-17-19-38-20-18-27)21-31(29)36(32)26-5-2-6-26;32-31(33,34)16-13-27-26-12-11-25(40-24-14-17-39-18-15-24)19-28(26)37(23-5-2-6-23)29(27)20-7-9-22(10-8-20)36-30(38)35-21-3-1-4-21;32-17-3-8-28-27-14-13-26(38-25-15-18-37-19-16-25)20-29(27)35(24-6-2-7-24)30(28)21-9-11-23(12-10-21)34-31(36)33-22-4-1-5-22;1-2-35-25-16-18-26-27(17-11-20-9-10-20)29(33(28(26)19-25)24-7-4-8-24)21-12-14-23(15-13-21)32-30(34)31-22-5-3-6-22;29-26-24-12-11-23(35-22-13-15-34-16-14-22)17-25(24)32(21-5-2-6-21)27(26)18-7-9-20(10-8-18)31-28(33)30-19-3-1-4-19;1-2-36-22-13-14-23-24(15-16-28(29,30)31)26(34(25(23)17-22)21-7-4-8-21)18-9-11-20(12-10-18)33-27(35)32-19-5-3-6-19;1-2-34-23-15-16-24-25(10-5-17-29)27(32(26(24)18-23)22-8-4-9-22)19-11-13-21(14-12-19)31-28(33)30-20-6-3-7-20;1-2-34-20-13-14-21-22(15-20)32(19-7-4-8-19)24(23(21)26(27,28)29)16-9-11-18(12-10-16)31-25(33)30-17-5-3-6-17/h10-14,16,21-22,24,26-27H,1-8,17-20H2,(H2,34,35,37);7-12,19,21,23-24H,1-6,14-15,17-18H2,(H2,35,36,38);9-14,20,22,24-25H,1-2,4-7,15-16,18-19H2,(H2,33,34,36);12-16,18-20,22,24H,2-10H2,1H3,(H2,31,32,34);7-12,17,19,21-22H,1-6,13-16H2,(H2,30,31,33);9-14,17,19,21H,2-8H2,1H3,(H2,32,33,35);11-16,18,20,22H,2-4,6-9H2,1H3,(H2,30,31,33);9-15,17,19H,2-8H2,1H3,(H2,30,31,33)
InChIKeyQWJPJHSPGVLBLF-UHFFFAOYSA-N
XLogP54.26
TPSA526.82 Ų
H-Bond Donors16
H-Bond Acceptors30
Rotatable Bonds48
Heavy Atoms291
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003965.18
LogP ≤ 554.26
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1030

Analyze 1-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(trifluoromethyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]urea with MolForge

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Related Compounds

1-cyclopropylethyl N-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-iodoindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-iodo-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate
CID 157389681
1-[4-[3-chloro-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]-3-propan-2-ylurea;4-[1-(cyclopropylmethyl)-6-ethoxy-3-fluoroindol-2-yl]aniline;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(3R)-oxolan-3-yl]oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(piperidine-1-carbonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-(2-cyclopropylethynyl)-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-fluoroindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-iodoindol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-ethoxyethoxy)indol-2-yl]phenyl]carbamate
CID 157683177
1-cyclopropylethyl N-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-iodo-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate
CID 158030451
1-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-iodoindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-iodo-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea
CID 158347373
1-[4-[3-(4-Chlorophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(4-fluorophenyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-fluorophenyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea
CID 158566304
1-[4-[3-(2-Cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(trifluoromethyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]urea
CID 158589880
propan-2-yl N-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-(4-cyanophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-fluorophenyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(4-fluorophenyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate
CID 158876079
propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;bis(propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate);bis(propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate)
CID 159179358
1-butyl-3-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]urea;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]propanamide;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-propylurea
CID 159471937
1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(trifluoromethyl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(trifluoromethyl)indol-2-yl]phenyl]carbamate
CID 159505652
[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[2-chloro-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate
CID 159525800
sodium;2-(4-aminophenyl)-1-cyclobutyl-6-ethoxyindole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethyl-2,2,2-trifluoroacetamide;bis(1-cyclobutyl-6-ethoxy-2-[4-(ethylamino)phenyl]indole-3-carbonitrile);dichloromethane;hydride;1,1,1-trifluoropropan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate
CID 159529508

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(trifluoromethyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]urea?
The IUPAC name of 1-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(trifluoromethyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]urea (CID 160537771) is 1-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(trifluoromethyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]urea.
What is the SMILES notation for 1-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(trifluoromethyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]urea?
The canonical SMILES for 1-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(trifluoromethyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]urea is CCOc1ccc2c(C#CC#N)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#CC(F)(F)F)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#CC3CC3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C(F)(F)F)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.N#CC#Cc1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.O=C(Nc1ccc(-c2c(C#CC(F)(F)F)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1.O=C(Nc1ccc(-c2c(C#CC3CC3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1.O=C(Nc1ccc(-c2c(Cl)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1.
What is the InChIKey of 1-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(trifluoromethyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]urea?
The InChIKey is QWJPJHSPGVLBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N3O3.C31H32F3N3O3.C31H32N4O3.C30H33N3O2.C28H32ClN3O3.C28H28F3N3O2.C28H28N4O2.C26H28F3N3O2/c37-33(34-24-3-1-4-24)35-25-12-10-23(11-13-25)32-30(15-9-22-7-8-22)29-16-14-28(39-27-17-19-38-20-18-27)21-31(29)36(32)26-5-2-6-26;32-31(33,34)16-13-27-26-12-11-25(40-24-14-17-39-18-15-24)19-28(26)37(23-5-2-6-23)29(27)20-7-9-22(10-8-20)36-30(38)35-21-3-1-4-21;32-17-3-8-28-27-14-13-26(38-25-15-18-37-19-16-25)20-29(27)35(24-6-2-7-24)30(28)21-9-11-23(12-10-21)34-31(36)33-22-4-1-5-22;1-2-35-25-16-18-26-27(17-11-20-9-10-20)29(33(28(26)19-25)24-7-4-8-24)21-12-14-23(15-13-21)32-30(34)31-22-5-3-6-22;29-26-24-12-11-23(35-22-13-15-34-16-14-22)17-25(24)32(21-5-2-6-21)27(26)18-7-9-20(10-8-18)31-28(33)30-19-3-1-4-19;1-2-36-22-13-14-23-24(15-16-28(29,30)31)26(34(25(23)17-22)21-7-4-8-21)18-9-11-20(12-10-18)33-27(35)32-19-5-3-6-19;1-2-34-23-15-16-24-25(10-5-17-29)27(32(26(24)18-23)22-8-4-9-22)19-11-13-21(14-12-19)31-28(33)30-20-6-3-7-20;1-2-34-20-13-14-21-22(15-20)32(19-7-4-8-19)24(23(21)26(27,28)29)16-9-11-18(12-10-16)31-25(33)30-17-5-3-6-17/h10-14,16,21-22,24,26-27H,1-8,17-20H2,(H2,34,35,37);7-12,19,21,23-24H,1-6,14-15,17-18H2,(H2,35,36,38);9-14,20,22,24-25H,1-2,4-7,15-16,18-19H2,(H2,33,34,36);12-16,18-20,22,24H,2-10H2,1H3,(H2,31,32,34);7-12,17,19,21-22H,1-6,13-16H2,(H2,30,31,33);9-14,17,19,21H,2-8H2,1H3,(H2,32,33,35);11-16,18,20,22H,2-4,6-9H2,1H3,(H2,30,31,33);9-15,17,19H,2-8H2,1H3,(H2,30,31,33).
What are the key properties of 1-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(trifluoromethyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]urea?
1-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(trifluoromethyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]urea has a molecular weight of 3965.18 g/mol, XLogP of 54.26, 48 rotatable bonds, 16 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(trifluoromethyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]urea is sourced from PubChem (CID 160537771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).