1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea;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

C171H192F3N28O25P5S2 — CID 161380275

About 1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea;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-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea;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 (PubChem CID 161380275) has the molecular formula C171H192F3N28O25P5S2 and a molecular weight of 3315.59 g/mol. Its IUPAC name is 1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea;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.

Molecular Properties

• Compound Name: 1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea;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
• PubChem CID: 161380275
• Molecular Formula: C171H192F3N28O25P5S2
• Molecular Weight: 3315.59 g/mol
• Exact Mass: 3313.27
• IUPAC Name: 1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea;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
• SMILES: 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.O=C(Nc1ccc(-c2c(-c3ccc(C(F)(F)F)cc3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1
• InChI: InChI=1S/C35H36F3N3O3.C28H34N3O5P.C27H31N6O5PS.C27H31N6O3PS.C27H30N5O5P.C27H30N5O4P/c36-35(37,38)24-11-7-22(8-12-24)32-30-16-15-29(44-28-17-19-43-20-18-28)21-31(30)41(27-5-2-6-27)33(32)23-9-13-26(14-10-23)40-34(42)39-25-3-1-4-25;1-3-34-37(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;1-3-37-39(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/h7-16,21,25,27-28H,1-6,17-20H2,(H2,39,40,42);8-13,18,22-23H,3-7,14-17H2,1-2H3,(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)
• InChIKey: VRPYTFPTFZTZJP-UHFFFAOYSA-N
• XLogP: 42.24
• TPSA: 635.14 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 47
• Rotatable Bonds: 62
• Heavy Atoms: 234
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3315.59
LogP ≤ 5	42.24
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea;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?

The IUPAC name of 1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea;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 (CID 161380275) is 1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea;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.

What is the SMILES notation for 1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea;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?

The canonical SMILES for 1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea;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 is 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.O=C(Nc1ccc(-c2c(-c3ccc(C(F)(F)F)cc3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1.

What is the InChIKey of 1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea;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?

The InChIKey is VRPYTFPTFZTZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36F3N3O3.C28H34N3O5P.C27H31N6O5PS.C27H31N6O3PS.C27H30N5O5P.C27H30N5O4P/c36-35(37,38)24-11-7-22(8-12-24)32-30-16-15-29(44-28-17-19-43-20-18-28)21-31(30)41(27-5-2-6-27)33(32)23-9-13-26(14-10-23)40-34(42)39-25-3-1-4-25;1-3-34-37(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;1-3-37-39(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/h7-16,21,25,27-28H,1-6,17-20H2,(H2,39,40,42);8-13,18,22-23H,3-7,14-17H2,1-2H3,(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).

What are the key properties of 1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea;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-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea;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 has a molecular weight of 3315.59 g/mol, XLogP of 42.24, 62 rotatable bonds, 7 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea;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 is sourced from PubChem (CID 161380275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).