4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N,N-diethylbenzamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclobutanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-2-methoxyacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-methylbutanamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propanamide

C166H170N28O13 — CID 158166214

IUPAC4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N,N-diethylbenzamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclobutanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-2-methoxyacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-methylbutanamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propanamide
SMILESCC(C)CC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ccnc4)cc3n2C2CCC2)cc1.CCC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ccnc4)cc3n2C2CCC2)cc1.CCOc1ccc2c(C#N)c(-c3ccc(C(=O)N(CC)CC)cc3)n(C3CCC3)c2c1.COCC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ccnc4)cc3n2C2CCC2)cc1.N#Cc1c(-c2ccc(NC(=O)C3CC3)cc2)n(C2CCC2)c2cc(OCCn3ccnc3)ccc12.N#Cc1c(-c2ccc(NC(=O)C3CCC3)cc2)n(C2CCC2)c2cc(OCCn3ccnc3)ccc12
InChIInChI=1S/C29H29N5O2.C29H31N5O2.C28H27N5O2.C27H27N5O3.C27H27N5O2.C26H29N3O2/c30-18-26-25-12-11-24(36-16-15-33-14-13-31-19-33)17-27(25)34(23-5-2-6-23)28(26)20-7-9-22(10-8-20)32-29(35)21-3-1-4-21;1-20(2)16-28(35)32-22-8-6-21(7-9-22)29-26(18-30)25-11-10-24(36-15-14-33-13-12-31-19-33)17-27(25)34(29)23-4-3-5-23;29-17-25-24-11-10-23(35-15-14-32-13-12-30-18-32)16-26(24)33(22-2-1-3-22)27(25)19-6-8-21(9-7-19)31-28(34)20-4-5-20;1-34-17-26(33)30-20-7-5-19(6-8-20)27-24(16-28)23-10-9-22(35-14-13-31-12-11-29-18-31)15-25(23)32(27)21-3-2-4-21;1-2-26(33)30-20-8-6-19(7-9-20)27-24(17-28)23-11-10-22(34-15-14-31-13-12-29-18-31)16-25(23)32(27)21-4-3-5-21;1-4-28(5-2)26(30)19-12-10-18(11-13-19)25-23(17-27)22-15-14-21(31-6-3)16-24(22)29(25)20-8-7-9-20/h7-14,17,19,21,23H,1-6,15-16H2,(H,32,35);6-13,17,19-20,23H,3-5,14-16H2,1-2H3,(H,32,35);6-13,16,18,20,22H,1-5,14-15H2,(H,31,34);5-12,15,18,21H,2-4,13-14,17H2,1H3,(H,30,33);6-13,16,18,21H,2-5,14-15H2,1H3,(H,30,33);10-16,20H,4-9H2,1-3H3
InChIKeyFWWIROJPUGRNLH-UHFFFAOYSA-N
MW2765.37 g/mol
LogP33.69
Rot. Bonds49

About 4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N,N-diethylbenzamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclobutanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-2-methoxyacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-methylbutanamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propanamide

4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N,N-diethylbenzamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclobutanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-2-methoxyacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-methylbutanamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propanamide (PubChem CID 158166214) has the molecular formula C166H170N28O13 and a molecular weight of 2765.37 g/mol. Its IUPAC name is 4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N,N-diethylbenzamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclobutanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-2-methoxyacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-methylbutanamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propanamide.

Molecular Properties

Compound Name4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N,N-diethylbenzamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclobutanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-2-methoxyacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-methylbutanamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propanamide
PubChem CID158166214
Molecular FormulaC166H170N28O13
Molecular Weight2765.37 g/mol
Exact Mass2763.35
IUPAC Name4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N,N-diethylbenzamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclobutanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-2-methoxyacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-methylbutanamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propanamide
SMILESCC(C)CC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ccnc4)cc3n2C2CCC2)cc1.CCC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ccnc4)cc3n2C2CCC2)cc1.CCOc1ccc2c(C#N)c(-c3ccc(C(=O)N(CC)CC)cc3)n(C3CCC3)c2c1.COCC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ccnc4)cc3n2C2CCC2)cc1.N#Cc1c(-c2ccc(NC(=O)C3CC3)cc2)n(C2CCC2)c2cc(OCCn3ccnc3)ccc12.N#Cc1c(-c2ccc(NC(=O)C3CCC3)cc2)n(C2CCC2)c2cc(OCCn3ccnc3)ccc12
InChIInChI=1S/C29H29N5O2.C29H31N5O2.C28H27N5O2.C27H27N5O3.C27H27N5O2.C26H29N3O2/c30-18-26-25-12-11-24(36-16-15-33-14-13-31-19-33)17-27(25)34(23-5-2-6-23)28(26)20-7-9-22(10-8-20)32-29(35)21-3-1-4-21;1-20(2)16-28(35)32-22-8-6-21(7-9-22)29-26(18-30)25-11-10-24(36-15-14-33-13-12-31-19-33)17-27(25)34(29)23-4-3-5-23;29-17-25-24-11-10-23(35-15-14-32-13-12-30-18-32)16-26(24)33(22-2-1-3-22)27(25)19-6-8-21(9-7-19)31-28(34)20-4-5-20;1-34-17-26(33)30-20-7-5-19(6-8-20)27-24(16-28)23-10-9-22(35-14-13-31-12-11-29-18-31)15-25(23)32(27)21-3-2-4-21;1-2-26(33)30-20-8-6-19(7-9-20)27-24(17-28)23-11-10-22(34-15-14-31-13-12-29-18-31)16-25(23)32(27)21-4-3-5-21;1-4-28(5-2)26(30)19-12-10-18(11-13-19)25-23(17-27)22-15-14-21(31-6-3)16-24(22)29(25)20-8-7-9-20/h7-14,17,19,21,23H,1-6,15-16H2,(H,32,35);6-13,17,19-20,23H,3-5,14-16H2,1-2H3,(H,32,35);6-13,16,18,20,22H,1-5,14-15H2,(H,31,34);5-12,15,18,21H,2-4,13-14,17H2,1H3,(H,30,33);6-13,16,18,21H,2-5,14-15H2,1H3,(H,30,33);10-16,20H,4-9H2,1-3H3
InChIKeyFWWIROJPUGRNLH-UHFFFAOYSA-N
XLogP33.69
TPSA491.84 Ų
H-Bond Donors5
H-Bond Acceptors35
Rotatable Bonds49
Heavy Atoms207
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002765.37
LogP ≤ 533.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1035

Analyze 4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N,N-diethylbenzamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclobutanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-2-methoxyacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-methylbutanamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propanamide with MolForge

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Related Compounds

[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-6-(3-methylpyrazin-2-yl)oxy-1-propan-2-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate
CID 158155960
N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]morpholine-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile
CID 160450837
[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(3-methylpyrazin-2-yl)oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate
CID 161087143
N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-methyl-butanamide
CID 49772690
N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-2-methoxy-acetamide
CID 49772694
N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide
CID 49772696
N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclobutanecarboxamide
CID 49772699
4-[3-Cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]benzamide
CID 68427572
3-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-2-methyl-N-propan-2-ylpropanamide
CID 143511161
1-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;cyclobutylmethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-pyrrolidin-1-ylbutoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate
CID 157155761
CID 157189573
CID 157189573
1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(6-carbamoyl-3-cyano-1-cyclobutylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1H-imidazol-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1H-imidazol-5-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2H-triazol-4-ylmethoxy)indol-2-yl]phenyl]carbamate
CID 157246039

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N,N-diethylbenzamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclobutanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-2-methoxyacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-methylbutanamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propanamide?
The IUPAC name of 4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N,N-diethylbenzamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclobutanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-2-methoxyacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-methylbutanamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propanamide (CID 158166214) is 4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N,N-diethylbenzamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclobutanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-2-methoxyacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-methylbutanamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propanamide.
What is the SMILES notation for 4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N,N-diethylbenzamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclobutanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-2-methoxyacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-methylbutanamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propanamide?
The canonical SMILES for 4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N,N-diethylbenzamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclobutanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-2-methoxyacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-methylbutanamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propanamide is CC(C)CC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ccnc4)cc3n2C2CCC2)cc1.CCC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ccnc4)cc3n2C2CCC2)cc1.CCOc1ccc2c(C#N)c(-c3ccc(C(=O)N(CC)CC)cc3)n(C3CCC3)c2c1.COCC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ccnc4)cc3n2C2CCC2)cc1.N#Cc1c(-c2ccc(NC(=O)C3CC3)cc2)n(C2CCC2)c2cc(OCCn3ccnc3)ccc12.N#Cc1c(-c2ccc(NC(=O)C3CCC3)cc2)n(C2CCC2)c2cc(OCCn3ccnc3)ccc12.
What is the InChIKey of 4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N,N-diethylbenzamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclobutanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-2-methoxyacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-methylbutanamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propanamide?
The InChIKey is FWWIROJPUGRNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O2.C29H31N5O2.C28H27N5O2.C27H27N5O3.C27H27N5O2.C26H29N3O2/c30-18-26-25-12-11-24(36-16-15-33-14-13-31-19-33)17-27(25)34(23-5-2-6-23)28(26)20-7-9-22(10-8-20)32-29(35)21-3-1-4-21;1-20(2)16-28(35)32-22-8-6-21(7-9-22)29-26(18-30)25-11-10-24(36-15-14-33-13-12-31-19-33)17-27(25)34(29)23-4-3-5-23;29-17-25-24-11-10-23(35-15-14-32-13-12-30-18-32)16-26(24)33(22-2-1-3-22)27(25)19-6-8-21(9-7-19)31-28(34)20-4-5-20;1-34-17-26(33)30-20-7-5-19(6-8-20)27-24(16-28)23-10-9-22(35-14-13-31-12-11-29-18-31)15-25(23)32(27)21-3-2-4-21;1-2-26(33)30-20-8-6-19(7-9-20)27-24(17-28)23-11-10-22(34-15-14-31-13-12-29-18-31)16-25(23)32(27)21-4-3-5-21;1-4-28(5-2)26(30)19-12-10-18(11-13-19)25-23(17-27)22-15-14-21(31-6-3)16-24(22)29(25)20-8-7-9-20/h7-14,17,19,21,23H,1-6,15-16H2,(H,32,35);6-13,17,19-20,23H,3-5,14-16H2,1-2H3,(H,32,35);6-13,16,18,20,22H,1-5,14-15H2,(H,31,34);5-12,15,18,21H,2-4,13-14,17H2,1H3,(H,30,33);6-13,16,18,21H,2-5,14-15H2,1H3,(H,30,33);10-16,20H,4-9H2,1-3H3.
What are the key properties of 4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N,N-diethylbenzamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclobutanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-2-methoxyacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-methylbutanamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propanamide?
4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N,N-diethylbenzamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclobutanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-2-methoxyacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-methylbutanamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propanamide has a molecular weight of 2765.37 g/mol, XLogP of 33.69, 49 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N,N-diethylbenzamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclobutanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-2-methoxyacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-methylbutanamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propanamide is sourced from PubChem (CID 158166214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).