1-butan-2-yl-3-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]urea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclopropylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate

C136H155N21O12 — CID 158773973

IUPAC1-butan-2-yl-3-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]urea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclopropylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate
SMILESCC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCN(C)C)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ccnc4)cc3n2C2CCC2)cc1)C1CC1.CCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)NC(C)CC)cc3)n(C(C)C)c2c1.CCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)NC4CC4)cc3)n(C(C)C)c2c1.CCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C(C)C)c2c1
InChIInChI=1S/C30H31N5O3.C29H34N4O3.C26H30N4O2.C26H32N4O2.C25H28N4O2/c1-20(21-5-6-21)38-30(36)33-23-9-7-22(8-10-23)29-27(18-31)26-12-11-25(37-16-15-34-14-13-32-19-34)17-28(26)35(29)24-3-2-4-24;1-19(20-7-8-20)36-29(34)31-22-11-9-21(10-12-22)28-26(18-30)25-14-13-24(35-16-15-32(2)3)17-27(25)33(28)23-5-4-6-23;1-4-14-32-21-12-13-22-23(16-27)25(30(17(2)3)24(22)15-21)18-8-10-20(11-9-18)29-26(31)28-19-6-5-7-19;1-6-14-32-21-12-13-22-23(16-27)25(30(17(3)4)24(22)15-21)19-8-10-20(11-9-19)29-26(31)28-18(5)7-2;1-4-13-31-20-11-12-21-22(15-26)24(29(16(2)3)23(21)14-20)17-5-7-18(8-6-17)27-25(30)28-19-9-10-19/h7-14,17,19-21,24H,2-6,15-16H2,1H3,(H,33,36);9-14,17,19-20,23H,4-8,15-16H2,1-3H3,(H,31,34);8-13,15,17,19H,4-7,14H2,1-3H3,(H2,28,29,31);8-13,15,17-18H,6-7,14H2,1-5H3,(H2,28,29,31);5-8,11-12,14,16,19H,4,9-10,13H2,1-3H3,(H2,27,28,30)
InChIKeyIQFVGCSPVZRTOR-UHFFFAOYSA-N
MW2275.87 g/mol
LogP31.25
Rot. Bonds40

About 1-butan-2-yl-3-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]urea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclopropylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate

1-butan-2-yl-3-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]urea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclopropylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate (PubChem CID 158773973) has the molecular formula C136H155N21O12 and a molecular weight of 2275.87 g/mol. Its IUPAC name is 1-butan-2-yl-3-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]urea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclopropylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Name1-butan-2-yl-3-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]urea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclopropylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate
PubChem CID158773973
Molecular FormulaC136H155N21O12
Molecular Weight2275.87 g/mol
Exact Mass2274.22
IUPAC Name1-butan-2-yl-3-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]urea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclopropylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate
SMILESCC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCN(C)C)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ccnc4)cc3n2C2CCC2)cc1)C1CC1.CCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)NC(C)CC)cc3)n(C(C)C)c2c1.CCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)NC4CC4)cc3)n(C(C)C)c2c1.CCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C(C)C)c2c1
InChIInChI=1S/C30H31N5O3.C29H34N4O3.C26H30N4O2.C26H32N4O2.C25H28N4O2/c1-20(21-5-6-21)38-30(36)33-23-9-7-22(8-10-23)29-27(18-31)26-12-11-25(37-16-15-34-14-13-32-19-34)17-28(26)35(29)24-3-2-4-24;1-19(20-7-8-20)36-29(34)31-22-11-9-21(10-12-22)28-26(18-30)25-14-13-24(35-16-15-32(2)3)17-27(25)33(28)23-5-4-6-23;1-4-14-32-21-12-13-22-23(16-27)25(30(17(2)3)24(22)15-21)18-8-10-20(11-9-18)29-26(31)28-19-6-5-7-19;1-6-14-32-21-12-13-22-23(16-27)25(30(17(3)4)24(22)15-21)19-8-10-20(11-9-19)29-26(31)28-18(5)7-2;1-4-13-31-20-11-12-21-22(15-26)24(29(16(2)3)23(21)14-20)17-5-7-18(8-6-17)27-25(30)28-19-9-10-19/h7-14,17,19-21,24H,2-6,15-16H2,1H3,(H,33,36);9-14,17,19-20,23H,4-8,15-16H2,1-3H3,(H,31,34);8-13,15,17,19H,4-7,14H2,1-3H3,(H2,28,29,31);8-13,15,17-18H,6-7,14H2,1-5H3,(H2,28,29,31);5-8,11-12,14,16,19H,4,9-10,13H2,1-3H3,(H2,27,28,30)
InChIKeyIQFVGCSPVZRTOR-UHFFFAOYSA-N
XLogP31.25
TPSA410.86 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds40
Heavy Atoms169
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002275.87
LogP ≤ 531.25
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Analyze 1-butan-2-yl-3-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]urea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclopropylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]urea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclopropylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate?
The IUPAC name of 1-butan-2-yl-3-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]urea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclopropylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate (CID 158773973) is 1-butan-2-yl-3-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]urea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclopropylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for 1-butan-2-yl-3-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]urea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclopropylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate?
The canonical SMILES for 1-butan-2-yl-3-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]urea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclopropylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate is CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCN(C)C)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ccnc4)cc3n2C2CCC2)cc1)C1CC1.CCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)NC(C)CC)cc3)n(C(C)C)c2c1.CCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)NC4CC4)cc3)n(C(C)C)c2c1.CCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C(C)C)c2c1.
What is the InChIKey of 1-butan-2-yl-3-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]urea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclopropylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate?
The InChIKey is IQFVGCSPVZRTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O3.C29H34N4O3.C26H30N4O2.C26H32N4O2.C25H28N4O2/c1-20(21-5-6-21)38-30(36)33-23-9-7-22(8-10-23)29-27(18-31)26-12-11-25(37-16-15-34-14-13-32-19-34)17-28(26)35(29)24-3-2-4-24;1-19(20-7-8-20)36-29(34)31-22-11-9-21(10-12-22)28-26(18-30)25-14-13-24(35-16-15-32(2)3)17-27(25)33(28)23-5-4-6-23;1-4-14-32-21-12-13-22-23(16-27)25(30(17(2)3)24(22)15-21)18-8-10-20(11-9-18)29-26(31)28-19-6-5-7-19;1-6-14-32-21-12-13-22-23(16-27)25(30(17(3)4)24(22)15-21)19-8-10-20(11-9-19)29-26(31)28-18(5)7-2;1-4-13-31-20-11-12-21-22(15-26)24(29(16(2)3)23(21)14-20)17-5-7-18(8-6-17)27-25(30)28-19-9-10-19/h7-14,17,19-21,24H,2-6,15-16H2,1H3,(H,33,36);9-14,17,19-20,23H,4-8,15-16H2,1-3H3,(H,31,34);8-13,15,17,19H,4-7,14H2,1-3H3,(H2,28,29,31);8-13,15,17-18H,6-7,14H2,1-5H3,(H2,28,29,31);5-8,11-12,14,16,19H,4,9-10,13H2,1-3H3,(H2,27,28,30).
What are the key properties of 1-butan-2-yl-3-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]urea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclopropylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate?
1-butan-2-yl-3-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]urea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclopropylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate has a molecular weight of 2275.87 g/mol, XLogP of 31.25, 40 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]urea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclopropylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 158773973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).