1-butyl-3-hydroxy-3-[(E)-2-pyridin-2-ylethenyl]indol-2-one;1-butyl-3-hydroxy-3-(2-pyridin-2-ylethyl)indol-2-one;N,5-diphenyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide;4-phenyl-5-(2-phenylethyl)-2-pyridin-3-yl-1,3-thiazole;N-[(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]aniline

C102H92N12O5S3 — CID 157367248

IUPAC1-butyl-3-hydroxy-3-[(E)-2-pyridin-2-ylethenyl]indol-2-one;1-butyl-3-hydroxy-3-(2-pyridin-2-ylethyl)indol-2-one;N,5-diphenyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide;4-phenyl-5-(2-phenylethyl)-2-pyridin-3-yl-1,3-thiazole;N-[(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]aniline
SMILESCCCCN1C(=O)C(O)(/C=C/c2ccccn2)c2ccccc21.CCCCN1C(=O)C(O)(CCc2ccccn2)c2ccccc21.O=C(Nc1ccccc1)c1nc(-c2cccnc2)sc1-c1ccccc1.c1ccc(CCc2sc(-c3cccnc3)nc2-c2ccccc2)cc1.c1ccc(NCc2sc(-c3cccnc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C22H18N2S.C21H15N3OS.C21H17N3S.C19H22N2O2.C19H20N2O2/c1-3-8-17(9-4-1)13-14-20-21(18-10-5-2-6-11-18)24-22(25-20)19-12-7-15-23-16-19;25-20(23-17-11-5-2-6-12-17)18-19(15-8-3-1-4-9-15)26-21(24-18)16-10-7-13-22-14-16;1-3-8-16(9-4-1)20-19(15-23-18-11-5-2-6-12-18)25-21(24-20)17-10-7-13-22-14-17;2*1-2-3-14-21-17-10-5-4-9-16(17)19(23,18(21)22)12-11-15-8-6-7-13-20-15/h1-12,15-16H,13-14H2;1-14H,(H,23,25);1-14,23H,15H2;4-10,13,23H,2-3,11-12,14H2,1H3;4-13,23H,2-3,14H2,1H3/b;;;;12-11+
InChIKeyBJIGWXIDTBKXTH-SQENGFTFSA-N
MW1662.14 g/mol
LogP22.44
Rot. Bonds25

About 1-butyl-3-hydroxy-3-[(E)-2-pyridin-2-ylethenyl]indol-2-one;1-butyl-3-hydroxy-3-(2-pyridin-2-ylethyl)indol-2-one;N,5-diphenyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide;4-phenyl-5-(2-phenylethyl)-2-pyridin-3-yl-1,3-thiazole;N-[(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]aniline

1-butyl-3-hydroxy-3-[(E)-2-pyridin-2-ylethenyl]indol-2-one;1-butyl-3-hydroxy-3-(2-pyridin-2-ylethyl)indol-2-one;N,5-diphenyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide;4-phenyl-5-(2-phenylethyl)-2-pyridin-3-yl-1,3-thiazole;N-[(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]aniline (PubChem CID 157367248) has the molecular formula C102H92N12O5S3 and a molecular weight of 1662.14 g/mol. Its IUPAC name is 1-butyl-3-hydroxy-3-[(E)-2-pyridin-2-ylethenyl]indol-2-one;1-butyl-3-hydroxy-3-(2-pyridin-2-ylethyl)indol-2-one;N,5-diphenyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide;4-phenyl-5-(2-phenylethyl)-2-pyridin-3-yl-1,3-thiazole;N-[(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name1-butyl-3-hydroxy-3-[(E)-2-pyridin-2-ylethenyl]indol-2-one;1-butyl-3-hydroxy-3-(2-pyridin-2-ylethyl)indol-2-one;N,5-diphenyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide;4-phenyl-5-(2-phenylethyl)-2-pyridin-3-yl-1,3-thiazole;N-[(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]aniline
PubChem CID157367248
Molecular FormulaC102H92N12O5S3
Molecular Weight1662.14 g/mol
Exact Mass1660.65
IUPAC Name1-butyl-3-hydroxy-3-[(E)-2-pyridin-2-ylethenyl]indol-2-one;1-butyl-3-hydroxy-3-(2-pyridin-2-ylethyl)indol-2-one;N,5-diphenyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide;4-phenyl-5-(2-phenylethyl)-2-pyridin-3-yl-1,3-thiazole;N-[(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]aniline
SMILESCCCCN1C(=O)C(O)(/C=C/c2ccccn2)c2ccccc21.CCCCN1C(=O)C(O)(CCc2ccccn2)c2ccccc21.O=C(Nc1ccccc1)c1nc(-c2cccnc2)sc1-c1ccccc1.c1ccc(CCc2sc(-c3cccnc3)nc2-c2ccccc2)cc1.c1ccc(NCc2sc(-c3cccnc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C22H18N2S.C21H15N3OS.C21H17N3S.C19H22N2O2.C19H20N2O2/c1-3-8-17(9-4-1)13-14-20-21(18-10-5-2-6-11-18)24-22(25-20)19-12-7-15-23-16-19;25-20(23-17-11-5-2-6-12-17)18-19(15-8-3-1-4-9-15)26-21(24-18)16-10-7-13-22-14-16;1-3-8-16(9-4-1)20-19(15-23-18-11-5-2-6-12-18)25-21(24-20)17-10-7-13-22-14-17;2*1-2-3-14-21-17-10-5-4-9-16(17)19(23,18(21)22)12-11-15-8-6-7-13-20-15/h1-12,15-16H,13-14H2;1-14H,(H,23,25);1-14,23H,15H2;4-10,13,23H,2-3,11-12,14H2,1H3;4-13,23H,2-3,14H2,1H3/b;;;;12-11+
InChIKeyBJIGWXIDTBKXTH-SQENGFTFSA-N
XLogP22.44
TPSA225.33 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds25
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001662.14
LogP ≤ 522.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze 1-butyl-3-hydroxy-3-[(E)-2-pyridin-2-ylethenyl]indol-2-one;1-butyl-3-hydroxy-3-(2-pyridin-2-ylethyl)indol-2-one;N,5-diphenyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide;4-phenyl-5-(2-phenylethyl)-2-pyridin-3-yl-1,3-thiazole;N-[(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]aniline with MolForge

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Related Compounds

CID 157092986
CID 157092986
1-benzyl-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one;1-butyl-3-(hydroxymethyl)-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one;1-butyl-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one;1-(2,4-dipyridin-3-yl-1,3-thiazol-5-yl)-2-phenylethanone;2-phenyl-1-(5-phenyl-2-pyridin-3-yl-3H-pyrrol-4-yl)ethanone;2-phenyl-1-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone
CID 158111350
tert-butyl 2-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)indolizine-7-carboxamide;6-methyl-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid
CID 158430471
1-Butyl-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one;1-(2,4-dipyridin-3-yl-1,3-thiazol-5-yl)-2-phenylethanone;2-phenyl-1-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone
CID 158536526
CID 159006961
CID 159006961
1-Benzyl-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one;1-butyl-3-(hydroxymethyl)-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one;1-butyl-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one;1-(2,4-dipyridin-3-yl-1,3-thiazol-5-yl)-2-phenylethanone;2-phenyl-1-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone
CID 159985711
N,4-diphenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;ethyl 2-[3-hydroxy-2-oxo-3-(2-oxo-2-pyridin-2-ylethyl)indol-1-yl]acetate;methane;methyl 2-[(4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]benzoate;4-methyl-N-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 160163888
N,5-diphenyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide;4-phenyl-5-(2-phenylethyl)-2-pyridin-3-yl-1,3-thiazole;2-phenyl-1-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanol;2-phenyl-1-(5-phenyl-2-pyridin-3-yl-1,3-thiazol-4-yl)ethanol;N-[(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]aniline
CID 160166372
N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[5-(2-methyl-1,3-thiazol-4-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid
CID 163632621
N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid
CID 164070133

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-hydroxy-3-[(E)-2-pyridin-2-ylethenyl]indol-2-one;1-butyl-3-hydroxy-3-(2-pyridin-2-ylethyl)indol-2-one;N,5-diphenyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide;4-phenyl-5-(2-phenylethyl)-2-pyridin-3-yl-1,3-thiazole;N-[(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]aniline?
The IUPAC name of 1-butyl-3-hydroxy-3-[(E)-2-pyridin-2-ylethenyl]indol-2-one;1-butyl-3-hydroxy-3-(2-pyridin-2-ylethyl)indol-2-one;N,5-diphenyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide;4-phenyl-5-(2-phenylethyl)-2-pyridin-3-yl-1,3-thiazole;N-[(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]aniline (CID 157367248) is 1-butyl-3-hydroxy-3-[(E)-2-pyridin-2-ylethenyl]indol-2-one;1-butyl-3-hydroxy-3-(2-pyridin-2-ylethyl)indol-2-one;N,5-diphenyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide;4-phenyl-5-(2-phenylethyl)-2-pyridin-3-yl-1,3-thiazole;N-[(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]aniline.
What is the SMILES notation for 1-butyl-3-hydroxy-3-[(E)-2-pyridin-2-ylethenyl]indol-2-one;1-butyl-3-hydroxy-3-(2-pyridin-2-ylethyl)indol-2-one;N,5-diphenyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide;4-phenyl-5-(2-phenylethyl)-2-pyridin-3-yl-1,3-thiazole;N-[(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]aniline?
The canonical SMILES for 1-butyl-3-hydroxy-3-[(E)-2-pyridin-2-ylethenyl]indol-2-one;1-butyl-3-hydroxy-3-(2-pyridin-2-ylethyl)indol-2-one;N,5-diphenyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide;4-phenyl-5-(2-phenylethyl)-2-pyridin-3-yl-1,3-thiazole;N-[(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]aniline is CCCCN1C(=O)C(O)(/C=C/c2ccccn2)c2ccccc21.CCCCN1C(=O)C(O)(CCc2ccccn2)c2ccccc21.O=C(Nc1ccccc1)c1nc(-c2cccnc2)sc1-c1ccccc1.c1ccc(CCc2sc(-c3cccnc3)nc2-c2ccccc2)cc1.c1ccc(NCc2sc(-c3cccnc3)nc2-c2ccccc2)cc1.
What is the InChIKey of 1-butyl-3-hydroxy-3-[(E)-2-pyridin-2-ylethenyl]indol-2-one;1-butyl-3-hydroxy-3-(2-pyridin-2-ylethyl)indol-2-one;N,5-diphenyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide;4-phenyl-5-(2-phenylethyl)-2-pyridin-3-yl-1,3-thiazole;N-[(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]aniline?
The InChIKey is BJIGWXIDTBKXTH-SQENGFTFSA-N. The full InChI is InChI=1S/C22H18N2S.C21H15N3OS.C21H17N3S.C19H22N2O2.C19H20N2O2/c1-3-8-17(9-4-1)13-14-20-21(18-10-5-2-6-11-18)24-22(25-20)19-12-7-15-23-16-19;25-20(23-17-11-5-2-6-12-17)18-19(15-8-3-1-4-9-15)26-21(24-18)16-10-7-13-22-14-16;1-3-8-16(9-4-1)20-19(15-23-18-11-5-2-6-12-18)25-21(24-20)17-10-7-13-22-14-17;2*1-2-3-14-21-17-10-5-4-9-16(17)19(23,18(21)22)12-11-15-8-6-7-13-20-15/h1-12,15-16H,13-14H2;1-14H,(H,23,25);1-14,23H,15H2;4-10,13,23H,2-3,11-12,14H2,1H3;4-13,23H,2-3,14H2,1H3/b;;;;12-11+.
What are the key properties of 1-butyl-3-hydroxy-3-[(E)-2-pyridin-2-ylethenyl]indol-2-one;1-butyl-3-hydroxy-3-(2-pyridin-2-ylethyl)indol-2-one;N,5-diphenyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide;4-phenyl-5-(2-phenylethyl)-2-pyridin-3-yl-1,3-thiazole;N-[(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]aniline?
1-butyl-3-hydroxy-3-[(E)-2-pyridin-2-ylethenyl]indol-2-one;1-butyl-3-hydroxy-3-(2-pyridin-2-ylethyl)indol-2-one;N,5-diphenyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide;4-phenyl-5-(2-phenylethyl)-2-pyridin-3-yl-1,3-thiazole;N-[(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]aniline has a molecular weight of 1662.14 g/mol, XLogP of 22.44, 25 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-hydroxy-3-[(E)-2-pyridin-2-ylethenyl]indol-2-one;1-butyl-3-hydroxy-3-(2-pyridin-2-ylethyl)indol-2-one;N,5-diphenyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide;4-phenyl-5-(2-phenylethyl)-2-pyridin-3-yl-1,3-thiazole;N-[(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]aniline is sourced from PubChem (CID 157367248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).