2-[3-cyano-1-cyclobutyl-2-[4-(cyclopropylsulfonylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate

C177H186F3N25O26S5 — CID 159900156

IUPAC2-[3-cyano-1-cyclobutyl-2-[4-(cyclopropylsulfonylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate
SMILESCC(OC(=O)Nc1ccc(-c2c(-c3cnco3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(-c3nc(C(F)(F)F)co3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.Cc1coc(-c2c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)n1.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2cc(OCC(=O)NC3CC3)ccc12.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2cc(S(=O)(=O)CCn3cncn3)ccc12.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2cc(S(=O)CCn3cncn3)ccc12
InChIInChI=1S/C33H34F3N3O5.C33H37N3O5.C32H35N3O5.C27H28N4O4S.C26H26N6O4S2.C26H26N6O3S2/c1-19(20-5-6-20)43-32(40)37-22-9-7-21(8-10-22)30-29(31-38-28(18-42-31)33(34,35)36)26-12-11-25(44-24-13-15-41-16-14-24)17-27(26)39(30)23-3-2-4-23;1-20-19-39-32(34-20)30-28-13-12-27(41-26-14-16-38-17-15-26)18-29(28)36(25-4-3-5-25)31(30)23-8-10-24(11-9-23)35-33(37)40-21(2)22-6-7-22;1-20(21-5-6-21)39-32(36)34-23-9-7-22(8-10-23)31-30(29-18-33-19-38-29)27-12-11-26(40-25-13-15-37-16-14-25)17-28(27)35(31)24-3-2-4-24;28-15-24-23-13-10-21(35-16-26(32)29-18-8-9-18)14-25(23)31(20-2-1-3-20)27(24)17-4-6-19(7-5-17)30-36(33,34)22-11-12-22;27-15-24-23-11-10-22(37(33,34)13-12-31-17-28-16-29-31)14-25(23)32(20-2-1-3-20)26(24)18-4-6-19(7-5-18)30-38(35,36)21-8-9-21;27-15-24-23-11-8-21(36(33)13-12-31-17-28-16-29-31)14-25(23)32(20-2-1-3-20)26(24)18-4-6-19(7-5-18)30-37(34,35)22-9-10-22/h7-12,17-20,23-24H,2-6,13-16H2,1H3,(H,37,40);8-13,18-19,21-22,25-26H,3-7,14-17H2,1-2H3,(H,35,37);7-12,17-21,24-25H,2-6,13-16H2,1H3,(H,34,36);4-7,10,13-14,18,20,22,30H,1-3,8-9,11-12,16H2,(H,29,32);4-7,10-11,14,16-17,20-21,30H,1-3,8-9,12-13H2;4-8,11,14,16-17,20,22,30H,1-3,9-10,12-13H2
InChIKeyNVVSJIKNNYOWLJ-UHFFFAOYSA-N
MW3296.91 g/mol
LogP36.66
Rot. Bonds51

About 2-[3-cyano-1-cyclobutyl-2-[4-(cyclopropylsulfonylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate

2-[3-cyano-1-cyclobutyl-2-[4-(cyclopropylsulfonylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate (PubChem CID 159900156) has the molecular formula C177H186F3N25O26S5 and a molecular weight of 3296.91 g/mol. Its IUPAC name is 2-[3-cyano-1-cyclobutyl-2-[4-(cyclopropylsulfonylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Name2-[3-cyano-1-cyclobutyl-2-[4-(cyclopropylsulfonylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate
PubChem CID159900156
Molecular FormulaC177H186F3N25O26S5
Molecular Weight3296.91 g/mol
Exact Mass3294.26
IUPAC Name2-[3-cyano-1-cyclobutyl-2-[4-(cyclopropylsulfonylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate
SMILESCC(OC(=O)Nc1ccc(-c2c(-c3cnco3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(-c3nc(C(F)(F)F)co3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.Cc1coc(-c2c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)n1.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2cc(OCC(=O)NC3CC3)ccc12.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2cc(S(=O)(=O)CCn3cncn3)ccc12.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2cc(S(=O)CCn3cncn3)ccc12
InChIInChI=1S/C33H34F3N3O5.C33H37N3O5.C32H35N3O5.C27H28N4O4S.C26H26N6O4S2.C26H26N6O3S2/c1-19(20-5-6-20)43-32(40)37-22-9-7-21(8-10-22)30-29(31-38-28(18-42-31)33(34,35)36)26-12-11-25(44-24-13-15-41-16-14-24)17-27(26)39(30)23-3-2-4-23;1-20-19-39-32(34-20)30-28-13-12-27(41-26-14-16-38-17-15-26)18-29(28)36(25-4-3-5-25)31(30)23-8-10-24(11-9-23)35-33(37)40-21(2)22-6-7-22;1-20(21-5-6-21)39-32(36)34-23-9-7-22(8-10-23)31-30(29-18-33-19-38-29)27-12-11-26(40-25-13-15-37-16-14-25)17-28(27)35(31)24-3-2-4-24;28-15-24-23-13-10-21(35-16-26(32)29-18-8-9-18)14-25(23)31(20-2-1-3-20)27(24)17-4-6-19(7-5-17)30-36(33,34)22-11-12-22;27-15-24-23-11-10-22(37(33,34)13-12-31-17-28-16-29-31)14-25(23)32(20-2-1-3-20)26(24)18-4-6-19(7-5-18)30-38(35,36)21-8-9-21;27-15-24-23-11-8-21(36(33)13-12-31-17-28-16-29-31)14-25(23)32(20-2-1-3-20)26(24)18-4-6-19(7-5-18)30-37(34,35)22-9-10-22/h7-12,17-20,23-24H,2-6,13-16H2,1H3,(H,37,40);8-13,18-19,21-22,25-26H,3-7,14-17H2,1-2H3,(H,35,37);7-12,17-21,24-25H,2-6,13-16H2,1H3,(H,34,36);4-7,10,13-14,18,20,22,30H,1-3,8-9,11-12,16H2,(H,29,32);4-7,10-11,14,16-17,20-21,30H,1-3,8-9,12-13H2;4-8,11,14,16-17,20,22,30H,1-3,9-10,12-13H2
InChIKeyNVVSJIKNNYOWLJ-UHFFFAOYSA-N
XLogP36.66
TPSA638.88 Ų
H-Bond Donors7
H-Bond Acceptors44
Rotatable Bonds51
Heavy Atoms236
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003296.91
LogP ≤ 536.66
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 2-[3-cyano-1-cyclobutyl-2-[4-(cyclopropylsulfonylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-cyano-1-cyclobutyl-2-[4-(cyclopropylsulfonylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate?
The IUPAC name of 2-[3-cyano-1-cyclobutyl-2-[4-(cyclopropylsulfonylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate (CID 159900156) is 2-[3-cyano-1-cyclobutyl-2-[4-(cyclopropylsulfonylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate.
What is the SMILES notation for 2-[3-cyano-1-cyclobutyl-2-[4-(cyclopropylsulfonylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate?
The canonical SMILES for 2-[3-cyano-1-cyclobutyl-2-[4-(cyclopropylsulfonylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate is CC(OC(=O)Nc1ccc(-c2c(-c3cnco3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(-c3nc(C(F)(F)F)co3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.Cc1coc(-c2c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)n1.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2cc(OCC(=O)NC3CC3)ccc12.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2cc(S(=O)(=O)CCn3cncn3)ccc12.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2cc(S(=O)CCn3cncn3)ccc12.
What is the InChIKey of 2-[3-cyano-1-cyclobutyl-2-[4-(cyclopropylsulfonylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate?
The InChIKey is NVVSJIKNNYOWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34F3N3O5.C33H37N3O5.C32H35N3O5.C27H28N4O4S.C26H26N6O4S2.C26H26N6O3S2/c1-19(20-5-6-20)43-32(40)37-22-9-7-21(8-10-22)30-29(31-38-28(18-42-31)33(34,35)36)26-12-11-25(44-24-13-15-41-16-14-24)17-27(26)39(30)23-3-2-4-23;1-20-19-39-32(34-20)30-28-13-12-27(41-26-14-16-38-17-15-26)18-29(28)36(25-4-3-5-25)31(30)23-8-10-24(11-9-23)35-33(37)40-21(2)22-6-7-22;1-20(21-5-6-21)39-32(36)34-23-9-7-22(8-10-23)31-30(29-18-33-19-38-29)27-12-11-26(40-25-13-15-37-16-14-25)17-28(27)35(31)24-3-2-4-24;28-15-24-23-13-10-21(35-16-26(32)29-18-8-9-18)14-25(23)31(20-2-1-3-20)27(24)17-4-6-19(7-5-17)30-36(33,34)22-11-12-22;27-15-24-23-11-10-22(37(33,34)13-12-31-17-28-16-29-31)14-25(23)32(20-2-1-3-20)26(24)18-4-6-19(7-5-18)30-38(35,36)21-8-9-21;27-15-24-23-11-8-21(36(33)13-12-31-17-28-16-29-31)14-25(23)32(20-2-1-3-20)26(24)18-4-6-19(7-5-18)30-37(34,35)22-9-10-22/h7-12,17-20,23-24H,2-6,13-16H2,1H3,(H,37,40);8-13,18-19,21-22,25-26H,3-7,14-17H2,1-2H3,(H,35,37);7-12,17-21,24-25H,2-6,13-16H2,1H3,(H,34,36);4-7,10,13-14,18,20,22,30H,1-3,8-9,11-12,16H2,(H,29,32);4-7,10-11,14,16-17,20-21,30H,1-3,8-9,12-13H2;4-8,11,14,16-17,20,22,30H,1-3,9-10,12-13H2.
What are the key properties of 2-[3-cyano-1-cyclobutyl-2-[4-(cyclopropylsulfonylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate?
2-[3-cyano-1-cyclobutyl-2-[4-(cyclopropylsulfonylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate has a molecular weight of 3296.91 g/mol, XLogP of 36.66, 51 rotatable bonds, 7 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyano-1-cyclobutyl-2-[4-(cyclopropylsulfonylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfinyl]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,3-oxazol-2-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 159900156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).