1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfonyl]ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(oxolan-3-yloxy)indole-3-carbonitrile

C179H194N31O24PS — CID 159092960

IUPAC1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfonyl]ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(oxolan-3-yloxy)indole-3-carbonitrile
SMILESCCOP(=O)(Nc1ccc(-c2c(C#N)c3ccc(OC4CCOC4)cc3n2C2CCC2)cc1)OCC.Cc1nnc(S(=O)(=O)CCOc2ccc3c(C#N)c(-c4ccc(NC(=O)NC5CCC5)cc4)n(CC4CC4)c3c2)o1.Cc1noc(-c2c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)n1.N#Cc1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CC2)c2cc(Oc3ncncn3)ccc12.O=C(Nc1ccc(-c2c(-c3nc(C4CC4)no3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1.O=C(Nc1ccc(-c2c(-c3noc(C4CC4)n3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1
InChIInChI=1S/2C33H37N5O4.C31H35N5O4.C29H30N6O5S.C27H32N3O5P.C26H23N7O2/c39-33(34-22-3-1-4-22)35-23-11-9-20(10-12-23)30-29(31-36-32(42-37-31)21-7-8-21)27-14-13-26(41-25-15-17-40-18-16-25)19-28(27)38(30)24-5-2-6-24;39-33(34-22-3-1-4-22)35-23-11-9-20(10-12-23)30-29(32-36-31(37-42-32)21-7-8-21)27-14-13-26(41-25-15-17-40-18-16-25)19-28(27)38(30)24-5-2-6-24;1-19-32-30(40-35-19)28-26-13-12-25(39-24-14-16-38-17-15-24)18-27(26)36(23-6-3-7-23)29(28)20-8-10-22(11-9-20)34-31(37)33-21-4-2-5-21;1-18-33-34-29(40-18)41(37,38)14-13-39-23-11-12-24-25(16-30)27(35(26(24)15-23)17-19-5-6-19)20-7-9-22(10-8-20)32-28(36)31-21-3-2-4-21;1-3-33-36(31,34-4-2)29-20-10-8-19(9-11-20)27-25(17-28)24-13-12-22(35-23-14-15-32-18-23)16-26(24)30(27)21-6-5-7-21;27-13-22-21-11-10-20(35-26-29-14-28-15-30-26)12-23(21)33(19-8-9-19)24(22)16-4-6-18(7-5-16)32-25(34)31-17-2-1-3-17/h2*9-14,19,21-22,24-25H,1-8,15-18H2,(H2,34,35,39);8-13,18,21,23-24H,2-7,14-17H2,1H3,(H2,33,34,37);7-12,15,19,21H,2-6,13-14,17H2,1H3,(H2,31,32,36);8-13,16,21,23H,3-7,14-15,18H2,1-2H3,(H,29,31);4-7,10-12,14-15,17,19H,1-3,8-9H2,(H2,31,32,34)
InChIKeyKCHOZEVUMRRAAN-UHFFFAOYSA-N
MW3226.75 g/mol
LogP37.65
Rot. Bonds49

About 1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfonyl]ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(oxolan-3-yloxy)indole-3-carbonitrile

1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfonyl]ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(oxolan-3-yloxy)indole-3-carbonitrile (PubChem CID 159092960) has the molecular formula C179H194N31O24PS and a molecular weight of 3226.75 g/mol. Its IUPAC name is 1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfonyl]ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(oxolan-3-yloxy)indole-3-carbonitrile.

Molecular Properties

Compound Name1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfonyl]ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(oxolan-3-yloxy)indole-3-carbonitrile
PubChem CID159092960
Molecular FormulaC179H194N31O24PS
Molecular Weight3226.75 g/mol
Exact Mass3224.44
IUPAC Name1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfonyl]ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(oxolan-3-yloxy)indole-3-carbonitrile
SMILESCCOP(=O)(Nc1ccc(-c2c(C#N)c3ccc(OC4CCOC4)cc3n2C2CCC2)cc1)OCC.Cc1nnc(S(=O)(=O)CCOc2ccc3c(C#N)c(-c4ccc(NC(=O)NC5CCC5)cc4)n(CC4CC4)c3c2)o1.Cc1noc(-c2c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)n1.N#Cc1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CC2)c2cc(Oc3ncncn3)ccc12.O=C(Nc1ccc(-c2c(-c3nc(C4CC4)no3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1.O=C(Nc1ccc(-c2c(-c3noc(C4CC4)n3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1
InChIInChI=1S/2C33H37N5O4.C31H35N5O4.C29H30N6O5S.C27H32N3O5P.C26H23N7O2/c39-33(34-22-3-1-4-22)35-23-11-9-20(10-12-23)30-29(31-36-32(42-37-31)21-7-8-21)27-14-13-26(41-25-15-17-40-18-16-25)19-28(27)38(30)24-5-2-6-24;39-33(34-22-3-1-4-22)35-23-11-9-20(10-12-23)30-29(32-36-31(37-42-32)21-7-8-21)27-14-13-26(41-25-15-17-40-18-16-25)19-28(27)38(30)24-5-2-6-24;1-19-32-30(40-35-19)28-26-13-12-25(39-24-14-16-38-17-15-24)18-27(26)36(23-6-3-7-23)29(28)20-8-10-22(11-9-20)34-31(37)33-21-4-2-5-21;1-18-33-34-29(40-18)41(37,38)14-13-39-23-11-12-24-25(16-30)27(35(26(24)15-23)17-19-5-6-19)20-7-9-22(10-8-20)32-28(36)31-21-3-2-4-21;1-3-33-36(31,34-4-2)29-20-10-8-19(9-11-20)27-25(17-28)24-13-12-22(35-23-14-15-32-18-23)16-26(24)30(27)21-6-5-7-21;27-13-22-21-11-10-20(35-26-29-14-28-15-30-26)12-23(21)33(19-8-9-19)24(22)16-4-6-18(7-5-16)32-25(34)31-17-2-1-3-17/h2*9-14,19,21-22,24-25H,1-8,15-18H2,(H2,34,35,39);8-13,18,21,23-24H,2-7,14-17H2,1H3,(H2,33,34,37);7-12,15,19,21H,2-6,13-14,17H2,1H3,(H2,31,32,36);8-13,16,21,23H,3-7,14-15,18H2,1-2H3,(H,29,31);4-7,10-12,14-15,17,19H,1-3,8-9H2,(H2,31,32,34)
InChIKeyKCHOZEVUMRRAAN-UHFFFAOYSA-N
XLogP37.65
TPSA674.95 Ų
H-Bond Donors11
H-Bond Acceptors44
Rotatable Bonds49
Heavy Atoms236
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003226.75
LogP ≤ 537.65
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

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

Analyze 1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfonyl]ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(oxolan-3-yloxy)indole-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfonyl]ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(oxolan-3-yloxy)indole-3-carbonitrile?
The IUPAC name of 1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfonyl]ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(oxolan-3-yloxy)indole-3-carbonitrile (CID 159092960) is 1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfonyl]ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(oxolan-3-yloxy)indole-3-carbonitrile.
What is the SMILES notation for 1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfonyl]ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(oxolan-3-yloxy)indole-3-carbonitrile?
The canonical SMILES for 1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfonyl]ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(oxolan-3-yloxy)indole-3-carbonitrile is CCOP(=O)(Nc1ccc(-c2c(C#N)c3ccc(OC4CCOC4)cc3n2C2CCC2)cc1)OCC.Cc1nnc(S(=O)(=O)CCOc2ccc3c(C#N)c(-c4ccc(NC(=O)NC5CCC5)cc4)n(CC4CC4)c3c2)o1.Cc1noc(-c2c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)n1.N#Cc1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CC2)c2cc(Oc3ncncn3)ccc12.O=C(Nc1ccc(-c2c(-c3nc(C4CC4)no3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1.O=C(Nc1ccc(-c2c(-c3noc(C4CC4)n3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1.
What is the InChIKey of 1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfonyl]ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(oxolan-3-yloxy)indole-3-carbonitrile?
The InChIKey is KCHOZEVUMRRAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H37N5O4.C31H35N5O4.C29H30N6O5S.C27H32N3O5P.C26H23N7O2/c39-33(34-22-3-1-4-22)35-23-11-9-20(10-12-23)30-29(31-36-32(42-37-31)21-7-8-21)27-14-13-26(41-25-15-17-40-18-16-25)19-28(27)38(30)24-5-2-6-24;39-33(34-22-3-1-4-22)35-23-11-9-20(10-12-23)30-29(32-36-31(37-42-32)21-7-8-21)27-14-13-26(41-25-15-17-40-18-16-25)19-28(27)38(30)24-5-2-6-24;1-19-32-30(40-35-19)28-26-13-12-25(39-24-14-16-38-17-15-24)18-27(26)36(23-6-3-7-23)29(28)20-8-10-22(11-9-20)34-31(37)33-21-4-2-5-21;1-18-33-34-29(40-18)41(37,38)14-13-39-23-11-12-24-25(16-30)27(35(26(24)15-23)17-19-5-6-19)20-7-9-22(10-8-20)32-28(36)31-21-3-2-4-21;1-3-33-36(31,34-4-2)29-20-10-8-19(9-11-20)27-25(17-28)24-13-12-22(35-23-14-15-32-18-23)16-26(24)30(27)21-6-5-7-21;27-13-22-21-11-10-20(35-26-29-14-28-15-30-26)12-23(21)33(19-8-9-19)24(22)16-4-6-18(7-5-16)32-25(34)31-17-2-1-3-17/h2*9-14,19,21-22,24-25H,1-8,15-18H2,(H2,34,35,39);8-13,18,21,23-24H,2-7,14-17H2,1H3,(H2,33,34,37);7-12,15,19,21H,2-6,13-14,17H2,1H3,(H2,31,32,36);8-13,16,21,23H,3-7,14-15,18H2,1-2H3,(H,29,31);4-7,10-12,14-15,17,19H,1-3,8-9H2,(H2,31,32,34).
What are the key properties of 1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfonyl]ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(oxolan-3-yloxy)indole-3-carbonitrile?
1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfonyl]ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(oxolan-3-yloxy)indole-3-carbonitrile has a molecular weight of 3226.75 g/mol, XLogP of 37.65, 49 rotatable bonds, 11 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfonyl]ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-(oxolan-3-yloxy)indole-3-carbonitrile is sourced from PubChem (CID 159092960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).