6-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one

C32H24FN3O5S — CID 159987689

IUPAC6-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one
SMILESCOc1ccc2c(Oc3ccc(CC(=O)c4cc5ncsc5n(-c5ccccc5CCO)c4=O)cc3F)ccnc2c1
InChIInChI=1S/C32H24FN3O5S/c1-40-21-7-8-22-25(16-21)34-12-10-29(22)41-30-9-6-19(14-24(30)33)15-28(38)23-17-26-32(42-18-35-26)36(31(23)39)27-5-3-2-4-20(27)11-13-37/h2-10,12,14,16-18,37H,11,13,15H2,1H3
InChIKeyVOFMSJBTJWRCEN-UHFFFAOYSA-N
MW581.63 g/mol
LogP5.90
Rot. Bonds9

About 6-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one

6-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one (PubChem CID 159987689) has the molecular formula C32H24FN3O5S and a molecular weight of 581.63 g/mol. Its IUPAC name is 6-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one
PubChem CID159987689
Molecular FormulaC32H24FN3O5S
Molecular Weight581.63 g/mol
Exact Mass581.14
IUPAC Name6-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one
SMILESCOc1ccc2c(Oc3ccc(CC(=O)c4cc5ncsc5n(-c5ccccc5CCO)c4=O)cc3F)ccnc2c1
InChIInChI=1S/C32H24FN3O5S/c1-40-21-7-8-22-25(16-21)34-12-10-29(22)41-30-9-6-19(14-24(30)33)15-28(38)23-17-26-32(42-18-35-26)36(31(23)39)27-5-3-2-4-20(27)11-13-37/h2-10,12,14,16-18,37H,11,13,15H2,1H3
InChIKeyVOFMSJBTJWRCEN-UHFFFAOYSA-N
XLogP5.90
TPSA103.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.63
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one with MolForge

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Related Compounds

6-[(dimethylamino)methyl]-4-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-2-phenylpyridazin-3-one
CID 58268690
4-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-1-(2-hydroxyethyl)-5-methyl-2-phenylpyrazol-3-one
CID 58268808
CID 160873351
CID 160873351
N-[3-chloro-4-[2-fluoro-4-[2-[4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridin-6-yl]-2-oxoethyl]phenoxy]-2-pyridinyl]-4-methylpiperazine-1-carboxamide
CID 160570977
3-bromo-5-[2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6-hydroxypyridin-2-one
CID 163413234
5-fluoro-3-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-1-(4-fluorophenyl)-4,6-dimethylpyridin-2-one
CID 167659973
N-[[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]methyl]-3-oxo-2-phenyl-5-pyridin-2-yl-1H-pyrazole-4-carboxamide
CID 67017374
5-bromo-3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6-methylpyridin-2-one
CID 167621785
5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-2-(hydroxymethyl)-1-methylpyridin-4-one
CID 167627281
1-ethyl-N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 58268648
N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]formamide
CID 88583302
[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane
CID 166561904

Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one?
The IUPAC name of 6-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one (CID 159987689) is 6-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one.
What is the SMILES notation for 6-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one?
The canonical SMILES for 6-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one is COc1ccc2c(Oc3ccc(CC(=O)c4cc5ncsc5n(-c5ccccc5CCO)c4=O)cc3F)ccnc2c1.
What is the InChIKey of 6-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one?
The InChIKey is VOFMSJBTJWRCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24FN3O5S/c1-40-21-7-8-22-25(16-21)34-12-10-29(22)41-30-9-6-19(14-24(30)33)15-28(38)23-17-26-32(42-18-35-26)36(31(23)39)27-5-3-2-4-20(27)11-13-37/h2-10,12,14,16-18,37H,11,13,15H2,1H3.
What are the key properties of 6-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one?
6-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one has a molecular weight of 581.63 g/mol, XLogP of 5.90, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-4-[2-(2-hydroxyethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-5-one is sourced from PubChem (CID 159987689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).