6-[[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one

C26H20FN7O2S — CID 160942967

IUPAC6-[[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccccc1-n1c(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ccnc32)nc2snc(C)c2c1=O
InChIInChI=1S/C26H20FN7O2S/c1-13-5-3-4-6-19(13)34-20(30-25-21(26(34)36)14(2)32-37-25)12-33-24-22(18(28)7-8-29-24)23(31-33)15-9-16(27)11-17(35)10-15/h3-11,35H,12H2,1-2H3,(H2,28,29)
InChIKeyCSQPOTHECQEXEX-UHFFFAOYSA-N
MW513.56 g/mol
LogP4.35
Rot. Bonds4

About 6-[[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one

6-[[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one (PubChem CID 160942967) has the molecular formula C26H20FN7O2S and a molecular weight of 513.56 g/mol. Its IUPAC name is 6-[[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one
PubChem CID160942967
Molecular FormulaC26H20FN7O2S
Molecular Weight513.56 g/mol
Exact Mass513.14
IUPAC Name6-[[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccccc1-n1c(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ccnc32)nc2snc(C)c2c1=O
InChIInChI=1S/C26H20FN7O2S/c1-13-5-3-4-6-19(13)34-20(30-25-21(26(34)36)14(2)32-37-25)12-33-24-22(18(28)7-8-29-24)23(31-33)15-9-16(27)11-17(35)10-15/h3-11,35H,12H2,1-2H3,(H2,28,29)
InChIKeyCSQPOTHECQEXEX-UHFFFAOYSA-N
XLogP4.35
TPSA124.74 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.56
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one with MolForge

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Related Compounds

Pik-294
CID 24905149
2-{[4-Amino-3-(3-Fluoro-5-Hydroxyphenyl)-1h-Pyrazolo[3,4-D]pyrimidin-1-Yl]methyl}-5-Methyl-3-(2-Methylphenyl)quinazolin-4(3h)-One
CID 25097993
3-((4-Amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-8-methyl-2-o-tolylisoquinolin-1(2H)-one
CID 58008590
2-[(1S)-1-[[5-(3-fluoro-5-hydroxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]-5-methyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 73776786
2-((4-amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-5-methyl-3-o-tolylthieno[2,3-d]pyrimidin-4(3H)-one
CID 58158259
3-[[4-Amino-3-(4-fluoro-3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-fluoro-2-(2-methylphenyl)isoquinolin-1-one
CID 58008562
3-[[4-Amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(2-propan-2-ylphenyl)isoquinolin-1-one
CID 58008658
3-[[4-Amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-2-(2-methylphenyl)isoquinolin-1-one
CID 58008761
3-[[4-Amino-3-(4-fluoro-3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(3-methyl-2-pyridinyl)isoquinolin-1-one
CID 58008779
3-[[4-Amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(3-methyl-2-pyridinyl)isoquinolin-1-one
CID 58008818
3-[[4-Amino-3-(4-fluoro-3-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-2-(2-methylphenyl)-1(2H)-isoquinolinone
CID 58008855
3-[[4-Amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-2-(2-ethylphenyl)-8-methylisoquinolin-1-one
CID 58008857

Frequently Asked Questions

What is the IUPAC name of 6-[[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one (CID 160942967) is 6-[[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one is Cc1ccccc1-n1c(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ccnc32)nc2snc(C)c2c1=O.
What is the InChIKey of 6-[[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one?
The InChIKey is CSQPOTHECQEXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN7O2S/c1-13-5-3-4-6-19(13)34-20(30-25-21(26(34)36)14(2)32-37-25)12-33-24-22(18(28)7-8-29-24)23(31-33)15-9-16(27)11-17(35)10-15/h3-11,35H,12H2,1-2H3,(H2,28,29).
What are the key properties of 6-[[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one?
6-[[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one has a molecular weight of 513.56 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 160942967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).