3-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)indole-6-carboxamide;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-6-methylindole-3-carbonitrile;methyl 1-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)indole-6-carboxylate

C81H67FN10O7S2 — CID 161213680

IUPAC3-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)indole-6-carboxamide;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-6-methylindole-3-carbonitrile;methyl 1-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(-c3nc(-c4ccncc4)cs3)cn(-c3ccc(OC)cc3)c2c1.COc1ccc(-n2cc(-c3nc(C(C)(C)C)cs3)c3ccc(C(N)=O)cc32)cc1.COc1ccc(-n2cc(C#N)c3ccc(C)cc32)cc1.COc1ccc(-n2cc(C#N)c3ccc(F)cc32)cc1
InChIInChI=1S/C25H19N3O3S.C23H23N3O2S.C17H14N2O.C16H11FN2O/c1-30-19-6-4-18(5-7-19)28-14-21(20-8-3-17(13-23(20)28)25(29)31-2)24-27-22(15-32-24)16-9-11-26-12-10-16;1-23(2,3)20-13-29-22(25-20)18-12-26(15-6-8-16(28-4)9-7-15)19-11-14(21(24)27)5-10-17(18)19;1-12-3-8-16-13(10-18)11-19(17(16)9-12)14-4-6-15(20-2)7-5-14;1-20-14-5-3-13(4-6-14)19-10-11(9-18)15-7-2-12(17)8-16(15)19/h3-15H,1-2H3;5-13H,1-4H3,(H2,24,27);3-9,11H,1-2H3;2-8,10H,1H3
InChIKeyUWOOQIBDNTUVOK-UHFFFAOYSA-N
MW1375.62 g/mol
LogP18.24
Rot. Bonds13

About 3-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)indole-6-carboxamide;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-6-methylindole-3-carbonitrile;methyl 1-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)indole-6-carboxylate

3-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)indole-6-carboxamide;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-6-methylindole-3-carbonitrile;methyl 1-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)indole-6-carboxylate (PubChem CID 161213680) has the molecular formula C81H67FN10O7S2 and a molecular weight of 1375.62 g/mol. Its IUPAC name is 3-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)indole-6-carboxamide;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-6-methylindole-3-carbonitrile;methyl 1-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)indole-6-carboxylate.

Molecular Properties

Compound Name3-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)indole-6-carboxamide;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-6-methylindole-3-carbonitrile;methyl 1-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)indole-6-carboxylate
PubChem CID161213680
Molecular FormulaC81H67FN10O7S2
Molecular Weight1375.62 g/mol
Exact Mass1374.46
IUPAC Name3-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)indole-6-carboxamide;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-6-methylindole-3-carbonitrile;methyl 1-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(-c3nc(-c4ccncc4)cs3)cn(-c3ccc(OC)cc3)c2c1.COc1ccc(-n2cc(-c3nc(C(C)(C)C)cs3)c3ccc(C(N)=O)cc32)cc1.COc1ccc(-n2cc(C#N)c3ccc(C)cc32)cc1.COc1ccc(-n2cc(C#N)c3ccc(F)cc32)cc1
InChIInChI=1S/C25H19N3O3S.C23H23N3O2S.C17H14N2O.C16H11FN2O/c1-30-19-6-4-18(5-7-19)28-14-21(20-8-3-17(13-23(20)28)25(29)31-2)24-27-22(15-32-24)16-9-11-26-12-10-16;1-23(2,3)20-13-29-22(25-20)18-12-26(15-6-8-16(28-4)9-7-15)19-11-14(21(24)27)5-10-17(18)19;1-12-3-8-16-13(10-18)11-19(17(16)9-12)14-4-6-15(20-2)7-5-14;1-20-14-5-3-13(4-6-14)19-10-11(9-18)15-7-2-12(17)8-16(15)19/h3-15H,1-2H3;5-13H,1-4H3,(H2,24,27);3-9,11H,1-2H3;2-8,10H,1H3
InChIKeyUWOOQIBDNTUVOK-UHFFFAOYSA-N
XLogP18.24
TPSA212.28 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds13
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001375.62
LogP ≤ 518.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Analyze 3-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)indole-6-carboxamide;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-6-methylindole-3-carbonitrile;methyl 1-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)indole-6-carboxylate with MolForge

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Related Compounds

Methyl 1-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)indole-6-carboxylate
CID 58693955
1-(4-Methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide
CID 58694012
3-(4-Tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)indole-6-carboxamide
CID 58694179
2-(4-tert-butylphenyl)-3-cyano-1-ethylindole-6-carboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;3-cyano-1-ethyl-2-(4-propan-2-ylphenyl)indole-6-carboxamide;methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate
CID 158146997
3-(4-Tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)indole-6-carboxamide;1-(4-methoxyphenyl)-6-methylindole-3-carbonitrile;methyl 1-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)indole-6-carboxylate
CID 158423700
2-(4-Tert-butylphenyl)-3-cyano-1-ethylindole-6-carboxamide;3-cyano-1-ethyl-2-(4-propan-2-ylphenyl)indole-6-carboxamide;2-(4-ethoxyphenyl)-6-methoxy-1-methylindole-3-carbonitrile;1-ethyl-2-(3-fluoro-4-methoxyphenyl)-6-methoxyindole-3-carbonitrile;6-methoxy-2-(4-methoxyphenyl)-1-methylindole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-2-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate
CID 158562884
3-(4-Tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)indole-6-carboxamide;3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)indole-6-carboxamide;1-ethyl-6-methoxy-2-(phenoxymethyl)indole-3-carbonitrile;1-(4-ethylphenyl)-2-(3-methylphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide;bis(6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile);6-methoxy-1-methyl-2-(3-methylphenyl)indole-3-carbonitrile;methyl 1-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)indole-6-carboxylate
CID 159142737
N-ethyl-N-[[4-[3-(3-methyl-1,3-benzothiazol-2-ylidene)-1-(1-methylquinolin-1-ium-4-yl)prop-1-en-2-yl]phenyl]methyl]ethanamine;2-[2-(3-methoxyphenyl)-3-(1-methylquinolin-1-ium-2-yl)prop-2-enylidene]-3-methyl-1,3-benzothiazole;methyl 4-[(Z,3E)-1-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-3-(1-methyl-2-phenylquinolin-4-ylidene)prop-1-en-2-yl]benzoate;methyl 4-[(Z,3E)-1-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-3-(2-methyl-1-phenylquinolin-4-ylidene)prop-1-en-2-yl]benzoate;methyl 4-[3-(3-methyl-1,3-benzothiazol-2-ylidene)-1-(1-methylquinolin-1-ium-2-yl)prop-1-en-2-yl]benzoate;3-methyl-2-[3-(1-methylquinolin-1-ium-4-yl)-2-phenylprop-2-enylidene]-1,3-benzothiazole
CID 159392151
1-Tert-butyl-3-[3-cyano-1-(4-methoxyphenyl)indol-6-yl]urea;1-ethyl-6-methoxy-2-(phenoxymethyl)indole-3-carbonitrile;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;6-methoxy-1-methyl-2-(3-methylphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide
CID 159531336
3-(4-Tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)indole-6-carboxamide;3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)indole-6-carboxamide;1-(4-methoxyphenyl)-6-methylindole-3-carbonitrile;methyl 1-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)indole-6-carboxylate
CID 160245678
1-Ethyl-6-methoxy-2-(phenoxymethyl)indole-3-carbonitrile;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;6-methoxy-1-methyl-2-(3-methylphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide
CID 161266380
3-(4-Tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)indole-6-carboxamide;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;6-methoxy-1-methyl-2-(3-methylphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-6-methylindole-3-carbonitrile;1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide
CID 161436200

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)indole-6-carboxamide;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-6-methylindole-3-carbonitrile;methyl 1-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)indole-6-carboxylate?
The IUPAC name of 3-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)indole-6-carboxamide;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-6-methylindole-3-carbonitrile;methyl 1-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)indole-6-carboxylate (CID 161213680) is 3-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)indole-6-carboxamide;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-6-methylindole-3-carbonitrile;methyl 1-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)indole-6-carboxylate.
What is the SMILES notation for 3-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)indole-6-carboxamide;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-6-methylindole-3-carbonitrile;methyl 1-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)indole-6-carboxylate?
The canonical SMILES for 3-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)indole-6-carboxamide;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-6-methylindole-3-carbonitrile;methyl 1-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)indole-6-carboxylate is COC(=O)c1ccc2c(-c3nc(-c4ccncc4)cs3)cn(-c3ccc(OC)cc3)c2c1.COc1ccc(-n2cc(-c3nc(C(C)(C)C)cs3)c3ccc(C(N)=O)cc32)cc1.COc1ccc(-n2cc(C#N)c3ccc(C)cc32)cc1.COc1ccc(-n2cc(C#N)c3ccc(F)cc32)cc1.
What is the InChIKey of 3-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)indole-6-carboxamide;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-6-methylindole-3-carbonitrile;methyl 1-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)indole-6-carboxylate?
The InChIKey is UWOOQIBDNTUVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O3S.C23H23N3O2S.C17H14N2O.C16H11FN2O/c1-30-19-6-4-18(5-7-19)28-14-21(20-8-3-17(13-23(20)28)25(29)31-2)24-27-22(15-32-24)16-9-11-26-12-10-16;1-23(2,3)20-13-29-22(25-20)18-12-26(15-6-8-16(28-4)9-7-15)19-11-14(21(24)27)5-10-17(18)19;1-12-3-8-16-13(10-18)11-19(17(16)9-12)14-4-6-15(20-2)7-5-14;1-20-14-5-3-13(4-6-14)19-10-11(9-18)15-7-2-12(17)8-16(15)19/h3-15H,1-2H3;5-13H,1-4H3,(H2,24,27);3-9,11H,1-2H3;2-8,10H,1H3.
What are the key properties of 3-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)indole-6-carboxamide;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-6-methylindole-3-carbonitrile;methyl 1-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)indole-6-carboxylate?
3-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)indole-6-carboxamide;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-6-methylindole-3-carbonitrile;methyl 1-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)indole-6-carboxylate has a molecular weight of 1375.62 g/mol, XLogP of 18.24, 13 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)indole-6-carboxamide;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-6-methylindole-3-carbonitrile;methyl 1-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)indole-6-carboxylate is sourced from PubChem (CID 161213680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).