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

C18H13F3N4O — CID 155389179

IUPAC5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2-oxazole
SMILESCc1cc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)on1
InChIInChI=1S/C18H13F3N4O/c1-10-4-13(26-24-10)9-25-17-6-12(7-22-16(17)8-23-25)11-2-3-15(19)14(5-11)18(20)21/h2-8,18H,9H2,1H3
InChIKeyLPGSMIDPLVVEOA-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]-3-methyl-1,2-oxazole

5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2-oxazole (PubChem CID 155389179) 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]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2-oxazole
PubChem CID155389179
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]-3-methyl-1,2-oxazole
SMILESCc1cc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)on1
InChIInChI=1S/C18H13F3N4O/c1-10-4-13(26-24-10)9-25-17-6-12(7-22-16(17)8-23-25)11-2-3-15(19)14(5-11)18(20)21/h2-8,18H,9H2,1H3
InChIKeyLPGSMIDPLVVEOA-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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Frequently Asked Questions

What is the IUPAC name of 5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2-oxazole (CID 155389179) is 5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2-oxazole is Cc1cc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)on1.
What is the InChIKey of 5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2-oxazole?
The InChIKey is LPGSMIDPLVVEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O/c1-10-4-13(26-24-10)9-25-17-6-12(7-22-16(17)8-23-25)11-2-3-15(19)14(5-11)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]-3-methyl-1,2-oxazole?
5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2-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]-3-methyl-1,2-oxazole is sourced from PubChem (CID 155389179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).