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

C18H15FN4O — CID 155389630

IUPAC5-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole
SMILESCc1ncc(Cn2ncc3ncc(-c4ccc(F)c(C)c4)cc32)o1
InChIInChI=1S/C18H15FN4O/c1-11-5-13(3-4-16(11)19)14-6-18-17(21-7-14)9-22-23(18)10-15-8-20-12(2)24-15/h3-9H,10H2,1-2H3
InChIKeyQRIRSPJECBGSMW-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.89
Rot. Bonds3

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

5-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole (PubChem CID 155389630) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is 5-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole
PubChem CID155389630
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name5-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole
SMILESCc1ncc(Cn2ncc3ncc(-c4ccc(F)c(C)c4)cc32)o1
InChIInChI=1S/C18H15FN4O/c1-11-5-13(3-4-16(11)19)14-6-18-17(21-7-14)9-22-23(18)10-15-8-20-12(2)24-15/h3-9H,10H2,1-2H3
InChIKeyQRIRSPJECBGSMW-UHFFFAOYSA-N
XLogP3.89
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole?
The IUPAC name of 5-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole (CID 155389630) is 5-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole.
What is the SMILES notation for 5-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole?
The canonical SMILES for 5-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole is Cc1ncc(Cn2ncc3ncc(-c4ccc(F)c(C)c4)cc32)o1.
What is the InChIKey of 5-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole?
The InChIKey is QRIRSPJECBGSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c1-11-5-13(3-4-16(11)19)14-6-18-17(21-7-14)9-22-23(18)10-15-8-20-12(2)24-15/h3-9H,10H2,1-2H3.
What are the key properties of 5-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole?
5-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole has a molecular weight of 322.34 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole is sourced from PubChem (CID 155389630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).