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

C18H15FN4S — CID 155388660

IUPAC2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-thiazole
SMILESCc1cnc(Cn2ncc3ncc(-c4ccc(F)c(C)c4)cc32)s1
InChIInChI=1S/C18H15FN4S/c1-11-5-13(3-4-15(11)19)14-6-17-16(20-8-14)9-22-23(17)10-18-21-7-12(2)24-18/h3-9H,10H2,1-2H3
InChIKeyMUWHXZXVWXASPJ-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.36
Rot. Bonds3

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

2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-thiazole (PubChem CID 155388660) has the molecular formula C18H15FN4S and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-thiazole
PubChem CID155388660
Molecular FormulaC18H15FN4S
Molecular Weight338.41 g/mol
Exact Mass338.10
IUPAC Name2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-thiazole
SMILESCc1cnc(Cn2ncc3ncc(-c4ccc(F)c(C)c4)cc32)s1
InChIInChI=1S/C18H15FN4S/c1-11-5-13(3-4-15(11)19)14-6-17-16(20-8-14)9-22-23(17)10-18-21-7-12(2)24-18/h3-9H,10H2,1-2H3
InChIKeyMUWHXZXVWXASPJ-UHFFFAOYSA-N
XLogP4.36
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
CID 155389053
1-cyclopropyl-2-[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone
CID 155386064
6-(4-fluoro-3-methylphenyl)-1-[(6-methyl-1,2-dihydropyridin-5-yl)methyl]pyrazolo[4,5-b]pyridine
CID 155399979
6-(4-fluoro-3-methylphenyl)-1-(2-methoxyethyl)pyrazolo[4,5-b]pyridine;2,2,2-trifluoroacetic acid
CID 155386097
(2S)-2-cyclopropyl-2-[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanol
CID 155389233
5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole
CID 155389203
6-(3,4-difluorophenyl)-1-[(6-methyl-1,2-dihydropyridin-5-yl)methyl]pyrazolo[4,5-b]pyridine
CID 155399966
6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(1-methylpyrazol-3-yl)methyl]pyrazolo[4,5-b]pyridine
CID 155388658
ethyl 2-[6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]acetate
CID 155389923
5-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole
CID 155389558
6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazolo[4,5-b]pyridine
CID 155399899
6-[3-(difluoromethyl)-4-fluorophenyl]-1-[[(R)-ethylsulfinyl]methyl]pyrazolo[4,5-b]pyridine
CID 155386056

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-thiazole?
The IUPAC name of 2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-thiazole (CID 155388660) is 2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-thiazole?
The canonical SMILES for 2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-thiazole is Cc1cnc(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-thiazole?
The InChIKey is MUWHXZXVWXASPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4S/c1-11-5-13(3-4-15(11)19)14-6-17-16(20-8-14)9-22-23(17)10-18-21-7-12(2)24-18/h3-9H,10H2,1-2H3.
What are the key properties of 2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-thiazole?
2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-thiazole has a molecular weight of 338.41 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 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-thiazole is sourced from PubChem (CID 155388660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).