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

C19H15F3N4O — CID 155388774

IUPAC4-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1Cn1ncc2ncc(-c3ccc(F)c(C(F)F)c3)cc21
InChIInChI=1S/C19H15F3N4O/c1-10-15(11(2)27-25-10)9-26-18-6-13(7-23-17(18)8-24-26)12-3-4-16(20)14(5-12)19(21)22/h3-8,19H,9H2,1-2H3
InChIKeyRAHQMKJKGHLRSN-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.83
Rot. Bonds4

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

4-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 155388774) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is 4-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID155388774
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC Name4-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1Cn1ncc2ncc(-c3ccc(F)c(C(F)F)c3)cc21
InChIInChI=1S/C19H15F3N4O/c1-10-15(11(2)27-25-10)9-26-18-6-13(7-23-17(18)8-24-26)12-3-4-16(20)14(5-12)19(21)22/h3-8,19H,9H2,1-2H3
InChIKeyRAHQMKJKGHLRSN-UHFFFAOYSA-N
XLogP4.83
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (CID 155388774) is 4-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1Cn1ncc2ncc(-c3ccc(F)c(C(F)F)c3)cc21.
What is the InChIKey of 4-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is RAHQMKJKGHLRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c1-10-15(11(2)27-25-10)9-26-18-6-13(7-23-17(18)8-24-26)12-3-4-16(20)14(5-12)19(21)22/h3-8,19H,9H2,1-2H3.
What are the key properties of 4-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
4-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 372.35 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 155388774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).