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

C18H13F3N4O — CID 155389203

IUPAC5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole
SMILESCc1ncc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)o1
InChIInChI=1S/C18H13F3N4O/c1-10-22-7-13(26-10)9-25-17-5-12(6-23-16(17)8-24-25)11-2-3-15(19)14(4-11)18(20)21/h2-8,18H,9H2,1H3
InChIKeyGVRZJYQVFVDWIR-UHFFFAOYSA-N
MW358.32 g/mol
LogP4.52
Rot. Bonds4

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

5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole (PubChem CID 155389203) has the molecular formula C18H13F3N4O and a molecular weight of 358.32 g/mol. Its IUPAC name is 5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole
PubChem CID155389203
Molecular FormulaC18H13F3N4O
Molecular Weight358.32 g/mol
Exact Mass358.10
IUPAC Name5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole
SMILESCc1ncc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)o1
InChIInChI=1S/C18H13F3N4O/c1-10-22-7-13(26-10)9-25-17-5-12(6-23-16(17)8-24-25)11-2-3-15(19)14(4-11)18(20)21/h2-8,18H,9H2,1H3
InChIKeyGVRZJYQVFVDWIR-UHFFFAOYSA-N
XLogP4.52
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

US10377753, Example 252
CID 124176103
2-[[6-(4-Fluoro-3-methylphenyl)pyrrolo[3,2-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 155567885
2-[[6-(2,4-Difluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 155388701
2-[[6-[3-(1,1-Difluoroethyl)-4-fluorophenyl]pyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 155388711
2-[[3-Fluoro-6-(4-fluoro-3-methylphenyl)pyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 155388736
4-[[6-[3-(Difluoromethyl)-4-fluorophenyl]pyrazolo[4,3-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole
CID 155388791
2-[[6-(3-Chloro-4-fluorophenyl)-3-fluoropyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 155388907
2-Methyl-5-[[6-[2-(trifluoromethyl)pyridin-4-yl]pyrazolo[4,3-b]pyridin-1-yl]methyl]-1,3,4-oxadiazole
CID 155388979
[5-[[6-[3-(Difluoromethyl)-4-fluorophenyl]pyrazolo[4,3-b]pyridin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]methanol
CID 155389058
2-[[6-[3-(1,1-Difluoroethyl)phenyl]pyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 155389070
2-[[6-[3-(1,1-Difluoroethyl)phenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 155389105
2-[[6-[3-(Difluoromethyl)-4-fluorophenyl]pyrazolo[4,3-b]pyridin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 155389142

Frequently Asked Questions

What is the IUPAC name of 5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole?
The IUPAC name of 5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole (CID 155389203) is 5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole.
What is the SMILES notation for 5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole?
The canonical SMILES for 5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole is Cc1ncc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)o1.
What is the InChIKey of 5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole?
The InChIKey is GVRZJYQVFVDWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O/c1-10-22-7-13(26-10)9-25-17-5-12(6-23-16(17)8-24-25)11-2-3-15(19)14(4-11)18(20)21/h2-8,18H,9H2,1H3.
What are the key properties of 5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole?
5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole has a molecular weight of 358.32 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole is sourced from PubChem (CID 155389203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).