1-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;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-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]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

C217H232N44O22S — CID 158568552

IUPAC1-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;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-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]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(OCC(=O)NC4CC4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC(N)=O)cc3n2C2CCC2)cc1.Cc1nc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)NC(C)C)cc4)n(C4CCC4)c3c2)no1.Cc1nnc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)NC(C)C)cc4)n(C4CCC4)c3c2)o1.Cc1nnc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)NC(C)C)cc4)n(C4CCC4)c3c2)s1.Cc1noc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)NC(C)C)cc4)n(C4CCC4)c3c2)n1
InChIInChI=1S/2C28H31N5O3.C28H31N5O2.3C27H28N6O3.C27H28N6O2S.C25H27N5O3/c1-18(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)32-14-3-4-15-32)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)31-19-9-7-18(8-10-19)26-23(14-28)22-12-11-21(35-15-25-30-17(3)36-32-25)13-24(22)33(26)20-5-4-6-20;1-16(2)29-27(34)31-19-9-7-18(8-10-19)26-23(14-28)22-12-11-21(35-15-25-30-17(3)32-36-25)13-24(22)33(26)20-5-4-6-20;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;1-15(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/h6-11,16,18,22H,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,3-7,14-15H2,1-2H3,(H2,30,31,35);7-13,16,20H,4-6,15H2,1-3H3,(H2,29,30,34);2*7-13,16,20H,4-6,15H2,1-3H3,(H2,29,31,34);7-13,16,20H,4-6,15H2,1-3H3,(H2,29,30,34);6-12,15,18H,3-5,14H2,1-2H3,(H2,27,31)(H2,28,29,32)
InChIKeyHRUGHFFSHJBHDW-UHFFFAOYSA-N
MW3840.60 g/mol
LogP43.26
Rot. Bonds53

About 1-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;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-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]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

1-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;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-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]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 158568552) has the molecular formula C217H232N44O22S and a molecular weight of 3840.60 g/mol. Its IUPAC name is 1-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;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-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]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 Name1-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;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-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]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 CID158568552
Molecular FormulaC217H232N44O22S
Molecular Weight3840.60 g/mol
Exact Mass3837.81
IUPAC Name1-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;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-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]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(OCC(=O)NC4CC4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC(N)=O)cc3n2C2CCC2)cc1.Cc1nc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)NC(C)C)cc4)n(C4CCC4)c3c2)no1.Cc1nnc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)NC(C)C)cc4)n(C4CCC4)c3c2)o1.Cc1nnc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)NC(C)C)cc4)n(C4CCC4)c3c2)s1.Cc1noc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)NC(C)C)cc4)n(C4CCC4)c3c2)n1
InChIInChI=1S/2C28H31N5O3.C28H31N5O2.3C27H28N6O3.C27H28N6O2S.C25H27N5O3/c1-18(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)32-14-3-4-15-32)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)31-19-9-7-18(8-10-19)26-23(14-28)22-12-11-21(35-15-25-30-17(3)36-32-25)13-24(22)33(26)20-5-4-6-20;1-16(2)29-27(34)31-19-9-7-18(8-10-19)26-23(14-28)22-12-11-21(35-15-25-30-17(3)32-36-25)13-24(22)33(26)20-5-4-6-20;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;1-15(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/h6-11,16,18,22H,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,3-7,14-15H2,1-2H3,(H2,30,31,35);7-13,16,20H,4-6,15H2,1-3H3,(H2,29,30,34);2*7-13,16,20H,4-6,15H2,1-3H3,(H2,29,31,34);7-13,16,20H,4-6,15H2,1-3H3,(H2,29,30,34);6-12,15,18H,3-5,14H2,1-2H3,(H2,27,31)(H2,28,29,32)
InChIKeyHRUGHFFSHJBHDW-UHFFFAOYSA-N
XLogP43.26
TPSA878.76 Ų
H-Bond Donors18
H-Bond Acceptors47
Rotatable Bonds53
Heavy Atoms284
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003840.60
LogP ≤ 543.26
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1047

Analyze 1-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;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-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]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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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;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-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]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 1-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;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-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]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 158568552) is 1-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;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-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]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 1-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;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-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]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 1-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;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-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]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(OCC(=O)NC4CC4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC(N)=O)cc3n2C2CCC2)cc1.Cc1nc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)NC(C)C)cc4)n(C4CCC4)c3c2)no1.Cc1nnc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)NC(C)C)cc4)n(C4CCC4)c3c2)o1.Cc1nnc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)NC(C)C)cc4)n(C4CCC4)c3c2)s1.Cc1noc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)NC(C)C)cc4)n(C4CCC4)c3c2)n1.
What is the InChIKey of 1-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;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-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]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 HRUGHFFSHJBHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H31N5O3.C28H31N5O2.3C27H28N6O3.C27H28N6O2S.C25H27N5O3/c1-18(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)32-14-3-4-15-32)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)31-19-9-7-18(8-10-19)26-23(14-28)22-12-11-21(35-15-25-30-17(3)36-32-25)13-24(22)33(26)20-5-4-6-20;1-16(2)29-27(34)31-19-9-7-18(8-10-19)26-23(14-28)22-12-11-21(35-15-25-30-17(3)32-36-25)13-24(22)33(26)20-5-4-6-20;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;1-15(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/h6-11,16,18,22H,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,3-7,14-15H2,1-2H3,(H2,30,31,35);7-13,16,20H,4-6,15H2,1-3H3,(H2,29,30,34);2*7-13,16,20H,4-6,15H2,1-3H3,(H2,29,31,34);7-13,16,20H,4-6,15H2,1-3H3,(H2,29,30,34);6-12,15,18H,3-5,14H2,1-2H3,(H2,27,31)(H2,28,29,32).
What are the key properties of 1-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;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-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]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?
1-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;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-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]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 3840.60 g/mol, XLogP of 43.26, 53 rotatable bonds, 18 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;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-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]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 158568552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).