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

C18H14F2N4S — CID 155388716

IUPAC2-[[6-(2,4-difluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-thiazole
SMILESCc1cnc(Cn2ncc3ncc(-c4ccc(F)c(C)c4F)cc32)s1
InChIInChI=1S/C18H14F2N4S/c1-10-6-22-17(25-10)9-24-16-5-12(7-21-15(16)8-23-24)13-3-4-14(19)11(2)18(13)20/h3-8H,9H2,1-2H3
InChIKeyXNDZAVPXQMDSOZ-UHFFFAOYSA-N
MW356.40 g/mol
LogP4.50
Rot. Bonds3

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

2-[[6-(2,4-difluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-thiazole (PubChem CID 155388716) has the molecular formula C18H14F2N4S and a molecular weight of 356.40 g/mol. Its IUPAC name is 2-[[6-(2,4-difluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[[6-(2,4-difluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-thiazole
PubChem CID155388716
Molecular FormulaC18H14F2N4S
Molecular Weight356.40 g/mol
Exact Mass356.09
IUPAC Name2-[[6-(2,4-difluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-thiazole
SMILESCc1cnc(Cn2ncc3ncc(-c4ccc(F)c(C)c4F)cc32)s1
InChIInChI=1S/C18H14F2N4S/c1-10-6-22-17(25-10)9-24-16-5-12(7-21-15(16)8-23-24)13-3-4-14(19)11(2)18(13)20/h3-8H,9H2,1-2H3
InChIKeyXNDZAVPXQMDSOZ-UHFFFAOYSA-N
XLogP4.50
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2,4-difluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-thiazole?
The IUPAC name of 2-[[6-(2,4-difluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-thiazole (CID 155388716) is 2-[[6-(2,4-difluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-[[6-(2,4-difluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-thiazole?
The canonical SMILES for 2-[[6-(2,4-difluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-thiazole is Cc1cnc(Cn2ncc3ncc(-c4ccc(F)c(C)c4F)cc32)s1.
What is the InChIKey of 2-[[6-(2,4-difluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-thiazole?
The InChIKey is XNDZAVPXQMDSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4S/c1-10-6-22-17(25-10)9-24-16-5-12(7-21-15(16)8-23-24)13-3-4-14(19)11(2)18(13)20/h3-8H,9H2,1-2H3.
What are the key properties of 2-[[6-(2,4-difluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-thiazole?
2-[[6-(2,4-difluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-thiazole has a molecular weight of 356.40 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2,4-difluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-thiazole is sourced from PubChem (CID 155388716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).