4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-methyl-1,3-thiazole

C17H13FN4OS — CID 175820186

IUPAC4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-methyl-1,3-thiazole
SMILESCOc1cccc(F)c1-c1cc2c(-c3csc(C)n3)n[nH]c2cn1
InChIInChI=1S/C17H13FN4OS/c1-9-20-14(8-24-9)17-10-6-12(19-7-13(10)21-22-17)16-11(18)4-3-5-15(16)23-2/h3-8H,1-2H3,(H,21,22)
InChIKeyCNROKZANDNYKOF-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.20
Rot. Bonds3

About 4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-methyl-1,3-thiazole

4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-methyl-1,3-thiazole (PubChem CID 175820186) has the molecular formula C17H13FN4OS and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-methyl-1,3-thiazole
PubChem CID175820186
Molecular FormulaC17H13FN4OS
Molecular Weight340.38 g/mol
Exact Mass340.08
IUPAC Name4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-methyl-1,3-thiazole
SMILESCOc1cccc(F)c1-c1cc2c(-c3csc(C)n3)n[nH]c2cn1
InChIInChI=1S/C17H13FN4OS/c1-9-20-14(8-24-9)17-10-6-12(19-7-13(10)21-22-17)16-11(18)4-3-5-15(16)23-2/h3-8H,1-2H3,(H,21,22)
InChIKeyCNROKZANDNYKOF-UHFFFAOYSA-N
XLogP4.20
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-methyl-1,3-thiazole with MolForge

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Related Compounds

US10435405, Example 43
CID 134327883
US11014929, Example 21
CID 134326340
US10435405, Example 115
CID 134327709
US10435405, Example 36
CID 134327719
US10435405, Example 138
CID 134327945
US10435405, Example 34
CID 134327952
US10435405, Example 139
CID 134327977
US10034861, Example 11
CID 132273309
4-[[3-[3-(6-Methoxypyridazin-3-yl)phenyl]pyrazol-1-yl]methyl]-2-methyl-1,3-thiazole
CID 30936590
5-(4-fluoro-2-methoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine
CID 134809763
2-[[6-[3-(Difluoromethoxy)-4-fluorophenyl]pyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3-thiazole
CID 155388668
2-[[6-[3-(Difluoromethoxy)-4-fluorophenyl]pyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
CID 155388697

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-methyl-1,3-thiazole (CID 175820186) is 4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-methyl-1,3-thiazole is COc1cccc(F)c1-c1cc2c(-c3csc(C)n3)n[nH]c2cn1.
What is the InChIKey of 4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-methyl-1,3-thiazole?
The InChIKey is CNROKZANDNYKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4OS/c1-9-20-14(8-24-9)17-10-6-12(19-7-13(10)21-22-17)16-11(18)4-3-5-15(16)23-2/h3-8H,1-2H3,(H,21,22).
What are the key properties of 4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-methyl-1,3-thiazole?
4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-methyl-1,3-thiazole has a molecular weight of 340.38 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 175820186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).