3-cyano-1-cyclobutyl-N-cyclopropyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;3-cyano-1-cyclobutyl-N-(2-methoxyethyl)-N-methyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylsulfonyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;2-[3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indol-6-yl]oxyacetamide;2-[3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;1-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]-3-propan-2-ylurea

C219H241N43O22S — CID 161274704

IUPAC3-cyano-1-cyclobutyl-N-cyclopropyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;3-cyano-1-cyclobutyl-N-(2-methoxyethyl)-N-methyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylsulfonyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;2-[3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indol-6-yl]oxyacetamide;2-[3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;1-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(C(=O)N4CCCC4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(C(=O)N4CCOCC4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(C(=O)NC4CC4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC(=O)NC4CC4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC(N)=O)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(S(=O)(=O)CCc4nncn4C)cc3n2C2CCC2)cc1.COCCN(C)C(=O)c1ccc2c(C#N)c(-c3ccc(NC(=O)NC(C)C)cc3)n(C3CCC3)c2c1.Cc1nnc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)NC(C)C)cc4)n(C4CCC4)c3c2)o1
InChIInChI=1S/C28H31N7O3S.2C28H31N5O3.C28H33N5O3.C28H31N5O2.C27H28N6O3.C27H29N5O2.C25H27N5O3/c1-18(2)31-28(36)32-20-9-7-19(8-10-20)27-24(16-29)23-12-11-22(15-25(23)35(27)21-5-4-6-21)39(37,38)14-13-26-33-30-17-34(26)3;1-18(2)30-28(35)31-21-9-6-19(7-10-21)26-24(17-29)23-11-8-20(27(34)32-12-14-36-15-13-32)16-25(23)33(26)22-4-3-5-22;1-17(2)30-28(35)32-20-8-6-18(7-9-20)27-24(15-29)23-13-12-22(36-16-26(34)31-19-10-11-19)14-25(23)33(27)21-4-3-5-21;1-18(2)30-28(35)31-21-11-8-19(9-12-21)26-24(17-29)23-13-10-20(27(34)32(3)14-15-36-4)16-25(23)33(26)22-6-5-7-22;1-18(2)30-28(35)31-21-11-8-19(9-12-21)26-24(17-29)23-13-10-20(27(34)32-14-3-4-15-32)16-25(23)33(26)22-6-5-7-22;1-16(2)29-27(34)30-19-9-7-18(8-10-19)26-23(14-28)22-12-11-21(35-15-25-32-31-17(3)36-25)13-24(22)33(26)20-5-4-6-20;1-16(2)29-27(34)31-20-9-6-17(7-10-20)25-23(15-28)22-13-8-18(26(33)30-19-11-12-19)14-24(22)32(25)21-4-3-5-21;1-15(2)28-25(32)29-17-8-6-16(7-9-17)24-21(13-26)20-11-10-19(33-14-23(27)31)12-22(20)30(24)18-4-3-5-18/h7-12,15,17-18,21H,4-6,13-14H2,1-3H3,(H2,31,32,36);6-11,16,18,22H,3-5,12-15H2,1-2H3,(H2,30,31,35);6-9,12-14,17,19,21H,3-5,10-11,16H2,1-2H3,(H,31,34)(H2,30,32,35);8-13,16,18,22H,5-7,14-15H2,1-4H3,(H2,30,31,35);8-13,16,18,22H,3-7,14-15H2,1-2H3,(H2,30,31,35);7-13,16,20H,4-6,15H2,1-3H3,(H2,29,30,34);6-10,13-14,16,19,21H,3-5,11-12H2,1-2H3,(H,30,33)(H2,29,31,34);6-12,15,18H,3-5,14H2,1-2H3,(H2,27,31)(H2,28,29,32)
InChIKeyVEGZCWPFNYLMKK-UHFFFAOYSA-N
MW3859.68 g/mol
LogP40.73
Rot. Bonds54

About 3-cyano-1-cyclobutyl-N-cyclopropyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;3-cyano-1-cyclobutyl-N-(2-methoxyethyl)-N-methyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylsulfonyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;2-[3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indol-6-yl]oxyacetamide;2-[3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;1-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]-3-propan-2-ylurea

3-cyano-1-cyclobutyl-N-cyclopropyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;3-cyano-1-cyclobutyl-N-(2-methoxyethyl)-N-methyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylsulfonyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;2-[3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indol-6-yl]oxyacetamide;2-[3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;1-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]-3-propan-2-ylurea (PubChem CID 161274704) has the molecular formula C219H241N43O22S and a molecular weight of 3859.68 g/mol. Its IUPAC name is 3-cyano-1-cyclobutyl-N-cyclopropyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;3-cyano-1-cyclobutyl-N-(2-methoxyethyl)-N-methyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylsulfonyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;2-[3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indol-6-yl]oxyacetamide;2-[3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;1-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name3-cyano-1-cyclobutyl-N-cyclopropyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;3-cyano-1-cyclobutyl-N-(2-methoxyethyl)-N-methyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylsulfonyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;2-[3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indol-6-yl]oxyacetamide;2-[3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;1-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]-3-propan-2-ylurea
PubChem CID161274704
Molecular FormulaC219H241N43O22S
Molecular Weight3859.68 g/mol
Exact Mass3856.88
IUPAC Name3-cyano-1-cyclobutyl-N-cyclopropyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;3-cyano-1-cyclobutyl-N-(2-methoxyethyl)-N-methyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylsulfonyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;2-[3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indol-6-yl]oxyacetamide;2-[3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;1-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(C(=O)N4CCCC4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(C(=O)N4CCOCC4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(C(=O)NC4CC4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC(=O)NC4CC4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC(N)=O)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(S(=O)(=O)CCc4nncn4C)cc3n2C2CCC2)cc1.COCCN(C)C(=O)c1ccc2c(C#N)c(-c3ccc(NC(=O)NC(C)C)cc3)n(C3CCC3)c2c1.Cc1nnc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)NC(C)C)cc4)n(C4CCC4)c3c2)o1
InChIInChI=1S/C28H31N7O3S.2C28H31N5O3.C28H33N5O3.C28H31N5O2.C27H28N6O3.C27H29N5O2.C25H27N5O3/c1-18(2)31-28(36)32-20-9-7-19(8-10-20)27-24(16-29)23-12-11-22(15-25(23)35(27)21-5-4-6-21)39(37,38)14-13-26-33-30-17-34(26)3;1-18(2)30-28(35)31-21-9-6-19(7-10-21)26-24(17-29)23-11-8-20(27(34)32-12-14-36-15-13-32)16-25(23)33(26)22-4-3-5-22;1-17(2)30-28(35)32-20-8-6-18(7-9-20)27-24(15-29)23-13-12-22(36-16-26(34)31-19-10-11-19)14-25(23)33(27)21-4-3-5-21;1-18(2)30-28(35)31-21-11-8-19(9-12-21)26-24(17-29)23-13-10-20(27(34)32(3)14-15-36-4)16-25(23)33(26)22-6-5-7-22;1-18(2)30-28(35)31-21-11-8-19(9-12-21)26-24(17-29)23-13-10-20(27(34)32-14-3-4-15-32)16-25(23)33(26)22-6-5-7-22;1-16(2)29-27(34)30-19-9-7-18(8-10-19)26-23(14-28)22-12-11-21(35-15-25-32-31-17(3)36-25)13-24(22)33(26)20-5-4-6-20;1-16(2)29-27(34)31-20-9-6-17(7-10-20)25-23(15-28)22-13-8-18(26(33)30-19-11-12-19)14-24(22)32(25)21-4-3-5-21;1-15(2)28-25(32)29-17-8-6-16(7-9-17)24-21(13-26)20-11-10-19(33-14-23(27)31)12-22(20)30(24)18-4-3-5-18/h7-12,15,17-18,21H,4-6,13-14H2,1-3H3,(H2,31,32,36);6-11,16,18,22H,3-5,12-15H2,1-2H3,(H2,30,31,35);6-9,12-14,17,19,21H,3-5,10-11,16H2,1-2H3,(H,31,34)(H2,30,32,35);8-13,16,18,22H,5-7,14-15H2,1-4H3,(H2,30,31,35);8-13,16,18,22H,3-7,14-15H2,1-2H3,(H2,30,31,35);7-13,16,20H,4-6,15H2,1-3H3,(H2,29,30,34);6-10,13-14,16,19,21H,3-5,11-12H2,1-2H3,(H,30,33)(H2,29,31,34);6-12,15,18H,3-5,14H2,1-2H3,(H2,27,31)(H2,28,29,32)
InChIKeyVEGZCWPFNYLMKK-UHFFFAOYSA-N
XLogP40.73
TPSA870.94 Ų
H-Bond Donors19
H-Bond Acceptors43
Rotatable Bonds54
Heavy Atoms285
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003859.68
LogP ≤ 540.73
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1043

Analyze 3-cyano-1-cyclobutyl-N-cyclopropyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;3-cyano-1-cyclobutyl-N-(2-methoxyethyl)-N-methyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylsulfonyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;2-[3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indol-6-yl]oxyacetamide;2-[3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;1-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]-3-propan-2-ylurea with MolForge

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Related Compounds

1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]-3-propan-2-ylurea
CID 59425289
1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfonyl]ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-pyrimidin-2-ylsulfinylethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-[2-(cyclopropylamino)-2-oxoethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate
CID 158475505
1-[4-[3-cyano-1-cyclobutyl-6-(1H-imidazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea
CID 59430480
1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3-oxazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea
CID 59430625
N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]ethanesulfonamide
CID 59425807
1-[4-[6-[(Z)-4-amino-3-(methylamino)but-3-enoxy]-3-cyano-1-cyclobutylindol-2-yl]phenyl]-3-propan-2-ylurea
CID 143509758
1-[4-[3-cyano-1-cyclobutyl-6-(4-morpholin-4-ylbutyl)indol-2-yl]phenyl]-3-propan-2-ylurea
CID 70798051
1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-(2-morpholin-4-ylethyl)urea
CID 59425775
[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamic acid
CID 59426144
1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-(1-methoxypropan-2-yl)urea
CID 59425011
N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide
CID 59424983
1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfinyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea
CID 59425044

Frequently Asked Questions

What is the IUPAC name of 3-cyano-1-cyclobutyl-N-cyclopropyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;3-cyano-1-cyclobutyl-N-(2-methoxyethyl)-N-methyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylsulfonyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;2-[3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indol-6-yl]oxyacetamide;2-[3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;1-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]-3-propan-2-ylurea?
The IUPAC name of 3-cyano-1-cyclobutyl-N-cyclopropyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;3-cyano-1-cyclobutyl-N-(2-methoxyethyl)-N-methyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylsulfonyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;2-[3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indol-6-yl]oxyacetamide;2-[3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;1-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]-3-propan-2-ylurea (CID 161274704) is 3-cyano-1-cyclobutyl-N-cyclopropyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;3-cyano-1-cyclobutyl-N-(2-methoxyethyl)-N-methyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylsulfonyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;2-[3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indol-6-yl]oxyacetamide;2-[3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;1-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]-3-propan-2-ylurea.
What is the SMILES notation for 3-cyano-1-cyclobutyl-N-cyclopropyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;3-cyano-1-cyclobutyl-N-(2-methoxyethyl)-N-methyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylsulfonyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;2-[3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indol-6-yl]oxyacetamide;2-[3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;1-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]-3-propan-2-ylurea?
The canonical SMILES for 3-cyano-1-cyclobutyl-N-cyclopropyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;3-cyano-1-cyclobutyl-N-(2-methoxyethyl)-N-methyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylsulfonyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;2-[3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indol-6-yl]oxyacetamide;2-[3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;1-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(C(=O)N4CCCC4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(C(=O)N4CCOCC4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(C(=O)NC4CC4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC(=O)NC4CC4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC(N)=O)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(S(=O)(=O)CCc4nncn4C)cc3n2C2CCC2)cc1.COCCN(C)C(=O)c1ccc2c(C#N)c(-c3ccc(NC(=O)NC(C)C)cc3)n(C3CCC3)c2c1.Cc1nnc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)NC(C)C)cc4)n(C4CCC4)c3c2)o1.
What is the InChIKey of 3-cyano-1-cyclobutyl-N-cyclopropyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;3-cyano-1-cyclobutyl-N-(2-methoxyethyl)-N-methyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylsulfonyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;2-[3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indol-6-yl]oxyacetamide;2-[3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;1-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]-3-propan-2-ylurea?
The InChIKey is VEGZCWPFNYLMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N7O3S.2C28H31N5O3.C28H33N5O3.C28H31N5O2.C27H28N6O3.C27H29N5O2.C25H27N5O3/c1-18(2)31-28(36)32-20-9-7-19(8-10-20)27-24(16-29)23-12-11-22(15-25(23)35(27)21-5-4-6-21)39(37,38)14-13-26-33-30-17-34(26)3;1-18(2)30-28(35)31-21-9-6-19(7-10-21)26-24(17-29)23-11-8-20(27(34)32-12-14-36-15-13-32)16-25(23)33(26)22-4-3-5-22;1-17(2)30-28(35)32-20-8-6-18(7-9-20)27-24(15-29)23-13-12-22(36-16-26(34)31-19-10-11-19)14-25(23)33(27)21-4-3-5-21;1-18(2)30-28(35)31-21-11-8-19(9-12-21)26-24(17-29)23-13-10-20(27(34)32(3)14-15-36-4)16-25(23)33(26)22-6-5-7-22;1-18(2)30-28(35)31-21-11-8-19(9-12-21)26-24(17-29)23-13-10-20(27(34)32-14-3-4-15-32)16-25(23)33(26)22-6-5-7-22;1-16(2)29-27(34)30-19-9-7-18(8-10-19)26-23(14-28)22-12-11-21(35-15-25-32-31-17(3)36-25)13-24(22)33(26)20-5-4-6-20;1-16(2)29-27(34)31-20-9-6-17(7-10-20)25-23(15-28)22-13-8-18(26(33)30-19-11-12-19)14-24(22)32(25)21-4-3-5-21;1-15(2)28-25(32)29-17-8-6-16(7-9-17)24-21(13-26)20-11-10-19(33-14-23(27)31)12-22(20)30(24)18-4-3-5-18/h7-12,15,17-18,21H,4-6,13-14H2,1-3H3,(H2,31,32,36);6-11,16,18,22H,3-5,12-15H2,1-2H3,(H2,30,31,35);6-9,12-14,17,19,21H,3-5,10-11,16H2,1-2H3,(H,31,34)(H2,30,32,35);8-13,16,18,22H,5-7,14-15H2,1-4H3,(H2,30,31,35);8-13,16,18,22H,3-7,14-15H2,1-2H3,(H2,30,31,35);7-13,16,20H,4-6,15H2,1-3H3,(H2,29,30,34);6-10,13-14,16,19,21H,3-5,11-12H2,1-2H3,(H,30,33)(H2,29,31,34);6-12,15,18H,3-5,14H2,1-2H3,(H2,27,31)(H2,28,29,32).
What are the key properties of 3-cyano-1-cyclobutyl-N-cyclopropyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;3-cyano-1-cyclobutyl-N-(2-methoxyethyl)-N-methyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylsulfonyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;2-[3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indol-6-yl]oxyacetamide;2-[3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;1-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]-3-propan-2-ylurea?
3-cyano-1-cyclobutyl-N-cyclopropyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;3-cyano-1-cyclobutyl-N-(2-methoxyethyl)-N-methyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylsulfonyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;2-[3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indol-6-yl]oxyacetamide;2-[3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;1-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]-3-propan-2-ylurea has a molecular weight of 3859.68 g/mol, XLogP of 40.73, 54 rotatable bonds, 19 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-1-cyclobutyl-N-cyclopropyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;3-cyano-1-cyclobutyl-N-(2-methoxyethyl)-N-methyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxamide;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylsulfonyl]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]-3-propan-2-ylurea;2-[3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indol-6-yl]oxyacetamide;2-[3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indol-6-yl]oxy-N-cyclopropylacetamide;1-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]-3-propan-2-ylurea is sourced from PubChem (CID 161274704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).