2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-(3-cyano-1-ethyl-6-nitroindol-2-yl)carbamate;2-ethyl-5-(1-ethyl-6-methoxyindol-3-yl)-1,3,4-oxadiazole;3-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;5-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;1-ethyl-6-methoxy-3-(1H-pyrazol-5-yl)indole

C89H91N17O12 — CID 158295538

IUPAC2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-(3-cyano-1-ethyl-6-nitroindol-2-yl)carbamate;2-ethyl-5-(1-ethyl-6-methoxyindol-3-yl)-1,3,4-oxadiazole;3-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;5-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;1-ethyl-6-methoxy-3-(1H-pyrazol-5-yl)indole
SMILESCCOC(=O)Nc1c(C#N)c2ccc([N+](=O)[O-])cc2n1CC.CCc1nnc(-c2cn(CC)c3cc(OC)ccc23)o1.CCn1c(-c2ccc(N)cc2)c(C#N)c2ccc(OC)cc21.CCn1cc(-c2ccn[nH]2)c2ccc(OC)cc21.CCn1cc(-c2ccno2)c2ccc(OC)cc21.CCn1cc(-c2ccon2)c2ccc(OC)cc21
InChIInChI=1S/C18H17N3O.C15H17N3O2.C14H14N4O4.C14H15N3O.2C14H14N2O2/c1-3-21-17-10-14(22-2)8-9-15(17)16(11-19)18(21)12-4-6-13(20)7-5-12;1-4-14-16-17-15(20-14)12-9-18(5-2)13-8-10(19-3)6-7-11(12)13;1-3-17-12-7-9(18(20)21)5-6-10(12)11(8-15)13(17)16-14(19)22-4-2;1-3-17-9-12(13-6-7-15-16-13)11-5-4-10(18-2)8-14(11)17;1-3-16-9-12(14-6-7-15-18-14)11-5-4-10(17-2)8-13(11)16;1-3-16-9-12(13-6-7-18-15-13)11-5-4-10(17-2)8-14(11)16/h4-10H,3,20H2,1-2H3;6-9H,4-5H2,1-3H3;5-7H,3-4H2,1-2H3,(H,16,19);4-9H,3H2,1-2H3,(H,15,16);2*4-9H,3H2,1-2H3
InChIKeyPJKBZNDQAOXXBD-UHFFFAOYSA-N
MW1590.81 g/mol
LogP19.79
Rot. Bonds20

About 2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-(3-cyano-1-ethyl-6-nitroindol-2-yl)carbamate;2-ethyl-5-(1-ethyl-6-methoxyindol-3-yl)-1,3,4-oxadiazole;3-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;5-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;1-ethyl-6-methoxy-3-(1H-pyrazol-5-yl)indole

2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-(3-cyano-1-ethyl-6-nitroindol-2-yl)carbamate;2-ethyl-5-(1-ethyl-6-methoxyindol-3-yl)-1,3,4-oxadiazole;3-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;5-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;1-ethyl-6-methoxy-3-(1H-pyrazol-5-yl)indole (PubChem CID 158295538) has the molecular formula C89H91N17O12 and a molecular weight of 1590.81 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-(3-cyano-1-ethyl-6-nitroindol-2-yl)carbamate;2-ethyl-5-(1-ethyl-6-methoxyindol-3-yl)-1,3,4-oxadiazole;3-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;5-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;1-ethyl-6-methoxy-3-(1H-pyrazol-5-yl)indole.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-(3-cyano-1-ethyl-6-nitroindol-2-yl)carbamate;2-ethyl-5-(1-ethyl-6-methoxyindol-3-yl)-1,3,4-oxadiazole;3-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;5-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;1-ethyl-6-methoxy-3-(1H-pyrazol-5-yl)indole
PubChem CID158295538
Molecular FormulaC89H91N17O12
Molecular Weight1590.81 g/mol
Exact Mass1589.70
IUPAC Name2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-(3-cyano-1-ethyl-6-nitroindol-2-yl)carbamate;2-ethyl-5-(1-ethyl-6-methoxyindol-3-yl)-1,3,4-oxadiazole;3-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;5-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;1-ethyl-6-methoxy-3-(1H-pyrazol-5-yl)indole
SMILESCCOC(=O)Nc1c(C#N)c2ccc([N+](=O)[O-])cc2n1CC.CCc1nnc(-c2cn(CC)c3cc(OC)ccc23)o1.CCn1c(-c2ccc(N)cc2)c(C#N)c2ccc(OC)cc21.CCn1cc(-c2ccn[nH]2)c2ccc(OC)cc21.CCn1cc(-c2ccno2)c2ccc(OC)cc21.CCn1cc(-c2ccon2)c2ccc(OC)cc21
InChIInChI=1S/C18H17N3O.C15H17N3O2.C14H14N4O4.C14H15N3O.2C14H14N2O2/c1-3-21-17-10-14(22-2)8-9-15(17)16(11-19)18(21)12-4-6-13(20)7-5-12;1-4-14-16-17-15(20-14)12-9-18(5-2)13-8-10(19-3)6-7-11(12)13;1-3-17-12-7-9(18(20)21)5-6-10(12)11(8-15)13(17)16-14(19)22-4-2;1-3-17-9-12(13-6-7-15-16-13)11-5-4-10(18-2)8-14(11)17;1-3-16-9-12(14-6-7-15-18-14)11-5-4-10(17-2)8-13(11)16;1-3-16-9-12(13-6-7-18-15-13)11-5-4-10(17-2)8-14(11)16/h4-10H,3,20H2,1-2H3;6-9H,4-5H2,1-3H3;5-7H,3-4H2,1-2H3,(H,16,19);4-9H,3H2,1-2H3,(H,15,16);2*4-9H,3H2,1-2H3
InChIKeyPJKBZNDQAOXXBD-UHFFFAOYSA-N
XLogP19.79
TPSA350.46 Ų
H-Bond Donors3
H-Bond Acceptors26
Rotatable Bonds20
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001590.81
LogP ≤ 519.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-(3-cyano-1-ethyl-6-nitroindol-2-yl)carbamate;2-ethyl-5-(1-ethyl-6-methoxyindol-3-yl)-1,3,4-oxadiazole;3-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;5-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;1-ethyl-6-methoxy-3-(1H-pyrazol-5-yl)indole with MolForge

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Related Compounds

2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-(3-cyano-1-ethyl-6-nitroindol-2-yl)carbamate;2-ethyl-5-(1-ethyl-6-methoxyindol-3-yl)-1,3,4-oxadiazole;3-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;5-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile
CID 159770717
2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-tert-butylphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-(3-cyano-1-ethyl-6-nitroindol-2-yl)carbamate;ethyl 5-ethyl-[1,3]dioxolo[4,5-f]indole-7-carboxylate;2-ethyl-5-(1-ethyl-6-methoxyindol-3-yl)-1,3,4-oxadiazole;3-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;5-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;1-ethyl-6-methoxy-2-(2-phenylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-3-(1H-pyrazol-5-yl)indole;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile;methyl 1-ethyl-3-(1,2-oxazol-5-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1H-pyrazol-5-yl)indole-6-carboxylate
CID 160389102
2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;6-(difluoromethoxy)-1-(difluoromethyl)indole-3-carbonitrile;ethyl N-(3-cyano-1-ethyl-6-nitroindol-2-yl)carbamate;6-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indole-8-carbonitrile;2-ethyl-5-(1-ethyl-6-methoxyindol-3-yl)-1,3,4-oxadiazole;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile;6-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-f]indole-8-carbonitrile
CID 161341550
1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,2-oxazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,2-oxazol-3-yl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,2-oxazol-5-yl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1H-pyrazol-5-yl)indol-2-yl]phenyl]carbamate
CID 157089002
N-(3-cyano-1-ethyl-6-nitroindol-2-yl)acetamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)benzamide;5-cyclopropyl-3-(1-ethyl-6-methoxyindol-3-yl)-1,2,4-oxadiazole;5-ethyl-3-(1-ethyl-6-methoxyindol-3-yl)-1,2,4-oxadiazole;1-ethyl-6-pyrrol-1-ylindole-3-carbonitrile;methyl 2-amino-1-ethyl-6-nitroindole-3-carboxylate;methyl 1-ethyl-2-(ethylamino)-6-nitroindole-3-carboxylate
CID 157312833
2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-tert-butylphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-(3-cyano-1-ethyl-6-nitroindol-2-yl)carbamate;ethyl 5-ethyl-[1,3]dioxolo[4,5-f]indole-7-carboxylate;3-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;5-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;1-ethyl-6-methoxy-2-[2-(3-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-phenylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-3-(1H-pyrazol-5-yl)indole;methyl 1-ethyl-3-(1,2-oxazol-5-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1H-pyrazol-5-yl)indole-6-carboxylate
CID 157624924
1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1H-imidazol-2-ylmethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,2-oxazol-3-yl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,2-oxazol-5-yl)indol-2-yl]phenyl]carbamate
CID 157782222
propan-2-yl N-[4-[1-cyclobutyl-3-(1,4-dimethylpyrazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(4-methyl-1H-pyrazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,2-oxazol-3-yl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,2-oxazol-5-yl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1H-pyrazol-5-yl)indol-2-yl]phenyl]carbamate
CID 157789448
(1-Ethyl-5-methoxyindol-3-yl)-phenylmethanone;(1-ethyl-6-methoxyindol-3-yl)-phenylmethanone;1-(1-ethyl-6-methoxyindol-3-yl)propan-1-one;methyl 2-amino-1-ethyl-6-nitroindole-3-carboxylate;methyl 1-ethyl-2-(ethylamino)-6-nitroindole-3-carboxylate
CID 158036518
CID 158165111
CID 158165111
1-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[3-(2H-tetrazol-5-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate
CID 158511207
CID 158561847
CID 158561847

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-(3-cyano-1-ethyl-6-nitroindol-2-yl)carbamate;2-ethyl-5-(1-ethyl-6-methoxyindol-3-yl)-1,3,4-oxadiazole;3-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;5-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;1-ethyl-6-methoxy-3-(1H-pyrazol-5-yl)indole?
The IUPAC name of 2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-(3-cyano-1-ethyl-6-nitroindol-2-yl)carbamate;2-ethyl-5-(1-ethyl-6-methoxyindol-3-yl)-1,3,4-oxadiazole;3-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;5-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;1-ethyl-6-methoxy-3-(1H-pyrazol-5-yl)indole (CID 158295538) is 2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-(3-cyano-1-ethyl-6-nitroindol-2-yl)carbamate;2-ethyl-5-(1-ethyl-6-methoxyindol-3-yl)-1,3,4-oxadiazole;3-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;5-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;1-ethyl-6-methoxy-3-(1H-pyrazol-5-yl)indole.
What is the SMILES notation for 2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-(3-cyano-1-ethyl-6-nitroindol-2-yl)carbamate;2-ethyl-5-(1-ethyl-6-methoxyindol-3-yl)-1,3,4-oxadiazole;3-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;5-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;1-ethyl-6-methoxy-3-(1H-pyrazol-5-yl)indole?
The canonical SMILES for 2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-(3-cyano-1-ethyl-6-nitroindol-2-yl)carbamate;2-ethyl-5-(1-ethyl-6-methoxyindol-3-yl)-1,3,4-oxadiazole;3-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;5-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;1-ethyl-6-methoxy-3-(1H-pyrazol-5-yl)indole is CCOC(=O)Nc1c(C#N)c2ccc([N+](=O)[O-])cc2n1CC.CCc1nnc(-c2cn(CC)c3cc(OC)ccc23)o1.CCn1c(-c2ccc(N)cc2)c(C#N)c2ccc(OC)cc21.CCn1cc(-c2ccn[nH]2)c2ccc(OC)cc21.CCn1cc(-c2ccno2)c2ccc(OC)cc21.CCn1cc(-c2ccon2)c2ccc(OC)cc21.
What is the InChIKey of 2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-(3-cyano-1-ethyl-6-nitroindol-2-yl)carbamate;2-ethyl-5-(1-ethyl-6-methoxyindol-3-yl)-1,3,4-oxadiazole;3-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;5-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;1-ethyl-6-methoxy-3-(1H-pyrazol-5-yl)indole?
The InChIKey is PJKBZNDQAOXXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O.C15H17N3O2.C14H14N4O4.C14H15N3O.2C14H14N2O2/c1-3-21-17-10-14(22-2)8-9-15(17)16(11-19)18(21)12-4-6-13(20)7-5-12;1-4-14-16-17-15(20-14)12-9-18(5-2)13-8-10(19-3)6-7-11(12)13;1-3-17-12-7-9(18(20)21)5-6-10(12)11(8-15)13(17)16-14(19)22-4-2;1-3-17-9-12(13-6-7-15-16-13)11-5-4-10(18-2)8-14(11)17;1-3-16-9-12(14-6-7-15-18-14)11-5-4-10(17-2)8-13(11)16;1-3-16-9-12(13-6-7-18-15-13)11-5-4-10(17-2)8-14(11)16/h4-10H,3,20H2,1-2H3;6-9H,4-5H2,1-3H3;5-7H,3-4H2,1-2H3,(H,16,19);4-9H,3H2,1-2H3,(H,15,16);2*4-9H,3H2,1-2H3.
What are the key properties of 2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-(3-cyano-1-ethyl-6-nitroindol-2-yl)carbamate;2-ethyl-5-(1-ethyl-6-methoxyindol-3-yl)-1,3,4-oxadiazole;3-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;5-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;1-ethyl-6-methoxy-3-(1H-pyrazol-5-yl)indole?
2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-(3-cyano-1-ethyl-6-nitroindol-2-yl)carbamate;2-ethyl-5-(1-ethyl-6-methoxyindol-3-yl)-1,3,4-oxadiazole;3-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;5-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;1-ethyl-6-methoxy-3-(1H-pyrazol-5-yl)indole has a molecular weight of 1590.81 g/mol, XLogP of 19.79, 20 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-(3-cyano-1-ethyl-6-nitroindol-2-yl)carbamate;2-ethyl-5-(1-ethyl-6-methoxyindol-3-yl)-1,3,4-oxadiazole;3-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;5-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;1-ethyl-6-methoxy-3-(1H-pyrazol-5-yl)indole is sourced from PubChem (CID 158295538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).