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

C17H13FN4OS — CID 134327719

IUPAC5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-methyl-1,3-thiazole
SMILESCOc1cccc(F)c1-c1cc2c(-c3cnc(C)s3)n[nH]c2cn1
InChIInChI=1S/C17H13FN4OS/c1-9-19-8-15(24-9)17-10-6-12(20-7-13(10)21-22-17)16-11(18)4-3-5-14(16)23-2/h3-8H,1-2H3,(H,21,22)
InChIKeyKLVHPYIPXCKJSU-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.20
Rot. Bonds3

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

5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-methyl-1,3-thiazole (PubChem CID 134327719) has the molecular formula C17H13FN4OS and a molecular weight of 340.38 g/mol. Its IUPAC name is 5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-methyl-1,3-thiazole
PubChem CID134327719
Molecular FormulaC17H13FN4OS
Molecular Weight340.38 g/mol
Exact Mass340.08
IUPAC Name5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-methyl-1,3-thiazole
SMILESCOc1cccc(F)c1-c1cc2c(-c3cnc(C)s3)n[nH]c2cn1
InChIInChI=1S/C17H13FN4OS/c1-9-19-8-15(24-9)17-10-6-12(20-7-13(10)21-22-17)16-11(18)4-3-5-14(16)23-2/h3-8H,1-2H3,(H,21,22)
InChIKeyKLVHPYIPXCKJSU-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

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-methyl-1,3-thiazole?
The IUPAC name of 5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-methyl-1,3-thiazole (CID 134327719) is 5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-methyl-1,3-thiazole?
The canonical SMILES for 5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-methyl-1,3-thiazole is COc1cccc(F)c1-c1cc2c(-c3cnc(C)s3)n[nH]c2cn1.
What is the InChIKey of 5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-methyl-1,3-thiazole?
The InChIKey is KLVHPYIPXCKJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4OS/c1-9-19-8-15(24-9)17-10-6-12(20-7-13(10)21-22-17)16-11(18)4-3-5-14(16)23-2/h3-8H,1-2H3,(H,21,22).
What are the key properties of 5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-methyl-1,3-thiazole?
5-[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 5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 134327719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).