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

C104H91N11O11S2 — CID 159985711

IUPAC1-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
SMILESCCCCN1C(=O)C(CO)(CC(=O)c2ccccn2)c2ccccc21.CCCCN1C(=O)C(O)(CC(=O)c2ccccn2)c2ccccc21.O=C(CC1(O)C(=O)N(Cc2ccccc2)c2ccccc21)c1ccccn1.O=C(Cc1ccccc1)c1sc(-c2cccnc2)nc1-c1ccccc1.O=C(Cc1ccccc1)c1sc(-c2cccnc2)nc1-c1cccnc1
InChIInChI=1S/C22H18N2O3.C22H16N2OS.C21H15N3OS.C20H22N2O3.C19H20N2O3/c25-20(18-11-6-7-13-23-18)14-22(27)17-10-4-5-12-19(17)24(21(22)26)15-16-8-2-1-3-9-16;25-19(14-16-8-3-1-4-9-16)21-20(17-10-5-2-6-11-17)24-22(26-21)18-12-7-13-23-15-18;25-18(12-15-6-2-1-3-7-15)20-19(16-8-4-10-22-13-16)24-21(26-20)17-9-5-11-23-14-17;1-2-3-12-22-17-10-5-4-8-15(17)20(14-23,19(22)25)13-18(24)16-9-6-7-11-21-16;1-2-3-12-21-16-10-5-4-8-14(16)19(24,18(21)23)13-17(22)15-9-6-7-11-20-15/h1-13,27H,14-15H2;1-13,15H,14H2;1-11,13-14H,12H2;4-11,23H,2-3,12-14H2,1H3;4-11,24H,2-3,12-13H2,1H3
InChIKeyOGHSIYBYXWPIJE-UHFFFAOYSA-N
MW1735.07 g/mol
LogP18.50
Rot. Bonds28

About 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

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 (PubChem CID 159985711) has the molecular formula C104H91N11O11S2 and a molecular weight of 1735.07 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID159985711
Molecular FormulaC104H91N11O11S2
Molecular Weight1735.07 g/mol
Exact Mass1733.63
IUPAC Name1-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
SMILESCCCCN1C(=O)C(CO)(CC(=O)c2ccccn2)c2ccccc21.CCCCN1C(=O)C(O)(CC(=O)c2ccccn2)c2ccccc21.O=C(CC1(O)C(=O)N(Cc2ccccc2)c2ccccc21)c1ccccn1.O=C(Cc1ccccc1)c1sc(-c2cccnc2)nc1-c1ccccc1.O=C(Cc1ccccc1)c1sc(-c2cccnc2)nc1-c1cccnc1
InChIInChI=1S/C22H18N2O3.C22H16N2OS.C21H15N3OS.C20H22N2O3.C19H20N2O3/c25-20(18-11-6-7-13-23-18)14-22(27)17-10-4-5-12-19(17)24(21(22)26)15-16-8-2-1-3-9-16;25-19(14-16-8-3-1-4-9-16)21-20(17-10-5-2-6-11-17)24-22(26-21)18-12-7-13-23-15-18;25-18(12-15-6-2-1-3-7-15)20-19(16-8-4-10-22-13-16)24-21(26-20)17-9-5-11-23-14-17;1-2-3-12-22-17-10-5-4-8-15(17)20(14-23,19(22)25)13-18(24)16-9-6-7-11-21-16;1-2-3-12-21-16-10-5-4-8-14(16)19(24,18(21)23)13-17(22)15-9-6-7-11-20-15/h1-13,27H,14-15H2;1-13,15H,14H2;1-11,13-14H,12H2;4-11,23H,2-3,12-14H2,1H3;4-11,24H,2-3,12-13H2,1H3
InChIKeyOGHSIYBYXWPIJE-UHFFFAOYSA-N
XLogP18.50
TPSA310.09 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds28
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001735.07
LogP ≤ 518.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCN1C(=O)C(CO)(CC(=O)c2ccccn2)c2ccccc21.CCCCN1C(=O)C(O)(CC(=O)c2ccccn2)c2ccccc21.O=C(CC1(O)C(=O)N(Cc2ccccc2)c2ccccc21)c1ccccn1.O=C(Cc1ccccc1)c1sc(-c2cccnc2)nc1-c1ccccc1.O=C(Cc1ccccc1)c1sc(-c2cccnc2)nc1-c1cccnc1.
What is the InChIKey of 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?
The InChIKey is OGHSIYBYXWPIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3.C22H16N2OS.C21H15N3OS.C20H22N2O3.C19H20N2O3/c25-20(18-11-6-7-13-23-18)14-22(27)17-10-4-5-12-19(17)24(21(22)26)15-16-8-2-1-3-9-16;25-19(14-16-8-3-1-4-9-16)21-20(17-10-5-2-6-11-17)24-22(26-21)18-12-7-13-23-15-18;25-18(12-15-6-2-1-3-7-15)20-19(16-8-4-10-22-13-16)24-21(26-20)17-9-5-11-23-14-17;1-2-3-12-22-17-10-5-4-8-15(17)20(14-23,19(22)25)13-18(24)16-9-6-7-11-21-16;1-2-3-12-21-16-10-5-4-8-14(16)19(24,18(21)23)13-17(22)15-9-6-7-11-20-15/h1-13,27H,14-15H2;1-13,15H,14H2;1-11,13-14H,12H2;4-11,23H,2-3,12-14H2,1H3;4-11,24H,2-3,12-13H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 1735.07 g/mol, XLogP of 18.50, 28 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159985711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).