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

C18H13F3N4O — CID 155388732

IUPAC5-methyl-3-[[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(Cn2ncc3ncc(-c4cccc(C(F)(F)F)c4)cc32)no1
InChIInChI=1S/C18H13F3N4O/c1-11-5-15(24-26-11)10-25-17-7-13(8-22-16(17)9-23-25)12-3-2-4-14(6-12)18(19,20)21/h2-9H,10H2,1H3
InChIKeyRINAGWCMVZVVGE-UHFFFAOYSA-N
MW358.32 g/mol
LogP4.46
Rot. Bonds3

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

5-methyl-3-[[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole (PubChem CID 155388732) has the molecular formula C18H13F3N4O and a molecular weight of 358.32 g/mol. Its IUPAC name is 5-methyl-3-[[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole
PubChem CID155388732
Molecular FormulaC18H13F3N4O
Molecular Weight358.32 g/mol
Exact Mass358.10
IUPAC Name5-methyl-3-[[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(Cn2ncc3ncc(-c4cccc(C(F)(F)F)c4)cc32)no1
InChIInChI=1S/C18H13F3N4O/c1-11-5-15(24-26-11)10-25-17-7-13(8-22-16(17)9-23-25)12-3-2-4-14(6-12)18(19,20)21/h2-9H,10H2,1H3
InChIKeyRINAGWCMVZVVGE-UHFFFAOYSA-N
XLogP4.46
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole (CID 155388732) is 5-methyl-3-[[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole is Cc1cc(Cn2ncc3ncc(-c4cccc(C(F)(F)F)c4)cc32)no1.
What is the InChIKey of 5-methyl-3-[[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole?
The InChIKey is RINAGWCMVZVVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O/c1-11-5-15(24-26-11)10-25-17-7-13(8-22-16(17)9-23-25)12-3-2-4-14(6-12)18(19,20)21/h2-9H,10H2,1H3.
What are the key properties of 5-methyl-3-[[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole?
5-methyl-3-[[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole has a molecular weight of 358.32 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 155388732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).