1-[4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;3-cyano-N-cyclopropyl-1-(cyclopropylmethyl)-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxolan-3-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea

C219H238N42O21S3 — CID 157484971

IUPAC1-[4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;3-cyano-N-cyclopropyl-1-(cyclopropylmethyl)-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxolan-3-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(C(=O)NC4CC4)cc3n2CC2CC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOC4)cc3n2CC2CC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2CC2CC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(S(=O)(=O)CCn4ccnc4)cc3n2CC2CC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(SCCn4cncn4)cc3n2CC2CC2)cc1.Cc1nnc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)NC(C)C)cc4)n(CC4CC4)c3c2)o1.Cc1nnc(SCCOc2ccc3c(C#N)c(-c4ccc(NC(=O)NC(C)C)cc4)n(C4CCC4)c3c2)o1
InChIInChI=1S/2C28H30N6O3S.C28H32N4O3.C27H29N7OS.C27H28N6O3.C27H29N5O2.2C27H30N4O3/c1-17(2)30-27(35)31-20-9-7-19(8-10-20)26-24(16-29)23-12-11-22(15-25(23)34(26)21-5-4-6-21)36-13-14-38-28-33-32-18(3)37-28;1-19(2)31-28(35)32-22-7-5-21(6-8-22)27-25(16-29)24-10-9-23(15-26(24)34(27)17-20-3-4-20)38(36,37)14-13-33-12-11-30-18-33;1-18(2)30-28(33)31-21-7-5-20(6-8-21)27-25(16-29)24-10-9-23(35-22-11-13-34-14-12-22)15-26(24)32(27)17-19-3-4-19;1-18(2)31-27(35)32-21-7-5-20(6-8-21)26-24(14-28)23-10-9-22(36-12-11-33-17-29-16-30-33)13-25(23)34(26)15-19-3-4-19;1-16(2)29-27(34)30-20-8-6-19(7-9-20)26-23(13-28)22-11-10-21(35-15-25-32-31-17(3)36-25)12-24(22)33(26)14-18-4-5-18;1-16(2)29-27(34)31-21-8-5-18(6-9-21)25-23(14-28)22-12-7-19(26(33)30-20-10-11-20)13-24(22)32(25)15-17-3-4-17;1-17(2)29-27(32)30-19-5-3-18(4-6-19)26-24(16-28)23-10-9-22(34-21-11-13-33-14-12-21)15-25(23)31(26)20-7-8-20;1-17(2)29-27(32)30-20-7-5-19(6-8-20)26-24(14-28)23-10-9-21(34-22-11-12-33-16-22)13-25(23)31(26)15-18-3-4-18/h7-12,15,17,21H,4-6,13-14H2,1-3H3,(H2,30,31,35);5-12,15,18-20H,3-4,13-14,17H2,1-2H3,(H2,31,32,35);5-10,15,18-19,22H,3-4,11-14,17H2,1-2H3,(H2,30,31,33);5-10,13,16-19H,3-4,11-12,15H2,1-2H3,(H2,31,32,35);6-12,16,18H,4-5,14-15H2,1-3H3,(H2,29,30,34);5-9,12-13,16-17,20H,3-4,10-11,15H2,1-2H3,(H,30,33)(H2,29,31,34);3-6,9-10,15,17,20-21H,7-8,11-14H2,1-2H3,(H2,29,30,32);5-10,13,17-18,22H,3-4,11-12,15-16H2,1-2H3,(H2,29,30,32)
InChIKeyBWPIXWLDQQBCOR-UHFFFAOYSA-N
MW3890.79 g/mol
LogP43.56
Rot. Bonds62

About 1-[4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;3-cyano-N-cyclopropyl-1-(cyclopropylmethyl)-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxolan-3-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea

1-[4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;3-cyano-N-cyclopropyl-1-(cyclopropylmethyl)-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxolan-3-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea (PubChem CID 157484971) has the molecular formula C219H238N42O21S3 and a molecular weight of 3890.79 g/mol. Its IUPAC name is 1-[4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;3-cyano-N-cyclopropyl-1-(cyclopropylmethyl)-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxolan-3-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;3-cyano-N-cyclopropyl-1-(cyclopropylmethyl)-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxolan-3-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea
PubChem CID157484971
Molecular FormulaC219H238N42O21S3
Molecular Weight3890.79 g/mol
Exact Mass3887.80
IUPAC Name1-[4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;3-cyano-N-cyclopropyl-1-(cyclopropylmethyl)-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxolan-3-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(C(=O)NC4CC4)cc3n2CC2CC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOC4)cc3n2CC2CC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2CC2CC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(S(=O)(=O)CCn4ccnc4)cc3n2CC2CC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(SCCn4cncn4)cc3n2CC2CC2)cc1.Cc1nnc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)NC(C)C)cc4)n(CC4CC4)c3c2)o1.Cc1nnc(SCCOc2ccc3c(C#N)c(-c4ccc(NC(=O)NC(C)C)cc4)n(C4CCC4)c3c2)o1
InChIInChI=1S/2C28H30N6O3S.C28H32N4O3.C27H29N7OS.C27H28N6O3.C27H29N5O2.2C27H30N4O3/c1-17(2)30-27(35)31-20-9-7-19(8-10-20)26-24(16-29)23-12-11-22(15-25(23)34(26)21-5-4-6-21)36-13-14-38-28-33-32-18(3)37-28;1-19(2)31-28(35)32-22-7-5-21(6-8-22)27-25(16-29)24-10-9-23(15-26(24)34(27)17-20-3-4-20)38(36,37)14-13-33-12-11-30-18-33;1-18(2)30-28(33)31-21-7-5-20(6-8-21)27-25(16-29)24-10-9-23(35-22-11-13-34-14-12-22)15-26(24)32(27)17-19-3-4-19;1-18(2)31-27(35)32-21-7-5-20(6-8-21)26-24(14-28)23-10-9-22(36-12-11-33-17-29-16-30-33)13-25(23)34(26)15-19-3-4-19;1-16(2)29-27(34)30-20-8-6-19(7-9-20)26-23(13-28)22-11-10-21(35-15-25-32-31-17(3)36-25)12-24(22)33(26)14-18-4-5-18;1-16(2)29-27(34)31-21-8-5-18(6-9-21)25-23(14-28)22-12-7-19(26(33)30-20-10-11-20)13-24(22)32(25)15-17-3-4-17;1-17(2)29-27(32)30-19-5-3-18(4-6-19)26-24(16-28)23-10-9-22(34-21-11-13-33-14-12-21)15-25(23)31(26)20-7-8-20;1-17(2)29-27(32)30-20-7-5-19(6-8-20)26-24(14-28)23-10-9-21(34-22-11-12-33-16-22)13-25(23)31(26)15-18-3-4-18/h7-12,15,17,21H,4-6,13-14H2,1-3H3,(H2,30,31,35);5-12,15,18-20H,3-4,13-14,17H2,1-2H3,(H2,31,32,35);5-10,15,18-19,22H,3-4,11-14,17H2,1-2H3,(H2,30,31,33);5-10,13,16-19H,3-4,11-12,15H2,1-2H3,(H2,31,32,35);6-12,16,18H,4-5,14-15H2,1-3H3,(H2,29,30,34);5-9,12-13,16-17,20H,3-4,10-11,15H2,1-2H3,(H,30,33)(H2,29,31,34);3-6,9-10,15,17,20-21H,7-8,11-14H2,1-2H3,(H2,29,30,32);5-10,13,17-18,22H,3-4,11-12,15-16H2,1-2H3,(H2,29,30,32)
InChIKeyBWPIXWLDQQBCOR-UHFFFAOYSA-N
XLogP43.56
TPSA822.25 Ų
H-Bond Donors17
H-Bond Acceptors48
Rotatable Bonds62
Heavy Atoms285
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003890.79
LogP ≤ 543.56
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;3-cyano-N-cyclopropyl-1-(cyclopropylmethyl)-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxolan-3-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;3-cyano-N-cyclopropyl-1-(cyclopropylmethyl)-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxolan-3-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;3-cyano-N-cyclopropyl-1-(cyclopropylmethyl)-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxolan-3-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea (CID 157484971) is 1-[4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;3-cyano-N-cyclopropyl-1-(cyclopropylmethyl)-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxolan-3-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;3-cyano-N-cyclopropyl-1-(cyclopropylmethyl)-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxolan-3-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;3-cyano-N-cyclopropyl-1-(cyclopropylmethyl)-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxolan-3-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(C(=O)NC4CC4)cc3n2CC2CC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOC4)cc3n2CC2CC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2CC2CC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(S(=O)(=O)CCn4ccnc4)cc3n2CC2CC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(SCCn4cncn4)cc3n2CC2CC2)cc1.Cc1nnc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)NC(C)C)cc4)n(CC4CC4)c3c2)o1.Cc1nnc(SCCOc2ccc3c(C#N)c(-c4ccc(NC(=O)NC(C)C)cc4)n(C4CCC4)c3c2)o1.
What is the InChIKey of 1-[4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;3-cyano-N-cyclopropyl-1-(cyclopropylmethyl)-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxolan-3-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea?
The InChIKey is BWPIXWLDQQBCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H30N6O3S.C28H32N4O3.C27H29N7OS.C27H28N6O3.C27H29N5O2.2C27H30N4O3/c1-17(2)30-27(35)31-20-9-7-19(8-10-20)26-24(16-29)23-12-11-22(15-25(23)34(26)21-5-4-6-21)36-13-14-38-28-33-32-18(3)37-28;1-19(2)31-28(35)32-22-7-5-21(6-8-22)27-25(16-29)24-10-9-23(15-26(24)34(27)17-20-3-4-20)38(36,37)14-13-33-12-11-30-18-33;1-18(2)30-28(33)31-21-7-5-20(6-8-21)27-25(16-29)24-10-9-23(35-22-11-13-34-14-12-22)15-26(24)32(27)17-19-3-4-19;1-18(2)31-27(35)32-21-7-5-20(6-8-21)26-24(14-28)23-10-9-22(36-12-11-33-17-29-16-30-33)13-25(23)34(26)15-19-3-4-19;1-16(2)29-27(34)30-20-8-6-19(7-9-20)26-23(13-28)22-11-10-21(35-15-25-32-31-17(3)36-25)12-24(22)33(26)14-18-4-5-18;1-16(2)29-27(34)31-21-8-5-18(6-9-21)25-23(14-28)22-12-7-19(26(33)30-20-10-11-20)13-24(22)32(25)15-17-3-4-17;1-17(2)29-27(32)30-19-5-3-18(4-6-19)26-24(16-28)23-10-9-22(34-21-11-13-33-14-12-21)15-25(23)31(26)20-7-8-20;1-17(2)29-27(32)30-20-7-5-19(6-8-20)26-24(14-28)23-10-9-21(34-22-11-12-33-16-22)13-25(23)31(26)15-18-3-4-18/h7-12,15,17,21H,4-6,13-14H2,1-3H3,(H2,30,31,35);5-12,15,18-20H,3-4,13-14,17H2,1-2H3,(H2,31,32,35);5-10,15,18-19,22H,3-4,11-14,17H2,1-2H3,(H2,30,31,33);5-10,13,16-19H,3-4,11-12,15H2,1-2H3,(H2,31,32,35);6-12,16,18H,4-5,14-15H2,1-3H3,(H2,29,30,34);5-9,12-13,16-17,20H,3-4,10-11,15H2,1-2H3,(H,30,33)(H2,29,31,34);3-6,9-10,15,17,20-21H,7-8,11-14H2,1-2H3,(H2,29,30,32);5-10,13,17-18,22H,3-4,11-12,15-16H2,1-2H3,(H2,29,30,32).
What are the key properties of 1-[4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;3-cyano-N-cyclopropyl-1-(cyclopropylmethyl)-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxolan-3-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea?
1-[4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;3-cyano-N-cyclopropyl-1-(cyclopropylmethyl)-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxolan-3-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea has a molecular weight of 3890.79 g/mol, XLogP of 43.56, 62 rotatable bonds, 17 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;3-cyano-N-cyclopropyl-1-(cyclopropylmethyl)-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxolan-3-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(1,2,4-triazol-1-yl)ethylsulfanyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea is sourced from PubChem (CID 157484971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).