2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole

C17H14FN5S — CID 155389053

IUPAC2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(Cn2ncc3ncc(-c4ccc(F)c(C)c4)cc32)s1
InChIInChI=1S/C17H14FN5S/c1-10-5-12(3-4-14(10)18)13-6-16-15(19-7-13)8-20-23(16)9-17-22-21-11(2)24-17/h3-8H,9H2,1-2H3
InChIKeyYRYKVSILMTVRQP-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.75
Rot. Bonds3

About 2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole

2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole (PubChem CID 155389053) has the molecular formula C17H14FN5S and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
PubChem CID155389053
Molecular FormulaC17H14FN5S
Molecular Weight339.40 g/mol
Exact Mass339.10
IUPAC Name2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(Cn2ncc3ncc(-c4ccc(F)c(C)c4)cc32)s1
InChIInChI=1S/C17H14FN5S/c1-10-5-12(3-4-14(10)18)13-6-16-15(19-7-13)8-20-23(16)9-17-22-21-11(2)24-17/h3-8H,9H2,1-2H3
InChIKeyYRYKVSILMTVRQP-UHFFFAOYSA-N
XLogP3.75
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole (CID 155389053) is 2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole is Cc1nnc(Cn2ncc3ncc(-c4ccc(F)c(C)c4)cc32)s1.
What is the InChIKey of 2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is YRYKVSILMTVRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5S/c1-10-5-12(3-4-14(10)18)13-6-16-15(19-7-13)8-20-23(16)9-17-22-21-11(2)24-17/h3-8H,9H2,1-2H3.
What are the key properties of 2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole?
2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 339.40 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 155389053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).