6-[3-(difluoromethyl)-4-fluorophenyl]-1-methylpyrazolo[4,5-b]pyridine;1-methylpyrrolidin-2-one

C19H19F3N4O — CID 155738078

IUPAC6-[3-(difluoromethyl)-4-fluorophenyl]-1-methylpyrazolo[4,5-b]pyridine;1-methylpyrrolidin-2-one
SMILESCN1CCCC1=O.Cn1ncc2ncc(-c3ccc(F)c(C(F)F)c3)cc21
InChIInChI=1S/C14H10F3N3.C5H9NO/c1-20-13-5-9(6-18-12(13)7-19-20)8-2-3-11(15)10(4-8)14(16)17;1-6-4-2-3-5(6)7/h2-7,14H,1H3;2-4H2,1H3
InChIKeyAHHMMFPKRIEYJV-UHFFFAOYSA-N
MW376.38 g/mol
LogP3.95
Rot. Bonds2

About 6-[3-(difluoromethyl)-4-fluorophenyl]-1-methylpyrazolo[4,5-b]pyridine;1-methylpyrrolidin-2-one

6-[3-(difluoromethyl)-4-fluorophenyl]-1-methylpyrazolo[4,5-b]pyridine;1-methylpyrrolidin-2-one (PubChem CID 155738078) has the molecular formula C19H19F3N4O and a molecular weight of 376.38 g/mol. Its IUPAC name is 6-[3-(difluoromethyl)-4-fluorophenyl]-1-methylpyrazolo[4,5-b]pyridine;1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name6-[3-(difluoromethyl)-4-fluorophenyl]-1-methylpyrazolo[4,5-b]pyridine;1-methylpyrrolidin-2-one
PubChem CID155738078
Molecular FormulaC19H19F3N4O
Molecular Weight376.38 g/mol
Exact Mass376.15
IUPAC Name6-[3-(difluoromethyl)-4-fluorophenyl]-1-methylpyrazolo[4,5-b]pyridine;1-methylpyrrolidin-2-one
SMILESCN1CCCC1=O.Cn1ncc2ncc(-c3ccc(F)c(C(F)F)c3)cc21
InChIInChI=1S/C14H10F3N3.C5H9NO/c1-20-13-5-9(6-18-12(13)7-19-20)8-2-3-11(15)10(4-8)14(16)17;1-6-4-2-3-5(6)7/h2-7,14H,1H3;2-4H2,1H3
InChIKeyAHHMMFPKRIEYJV-UHFFFAOYSA-N
XLogP3.95
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-methylpyrazolo[4,5-b]pyridine;1-methylpyrrolidin-2-one?
The IUPAC name of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-methylpyrazolo[4,5-b]pyridine;1-methylpyrrolidin-2-one (CID 155738078) is 6-[3-(difluoromethyl)-4-fluorophenyl]-1-methylpyrazolo[4,5-b]pyridine;1-methylpyrrolidin-2-one.
What is the SMILES notation for 6-[3-(difluoromethyl)-4-fluorophenyl]-1-methylpyrazolo[4,5-b]pyridine;1-methylpyrrolidin-2-one?
The canonical SMILES for 6-[3-(difluoromethyl)-4-fluorophenyl]-1-methylpyrazolo[4,5-b]pyridine;1-methylpyrrolidin-2-one is CN1CCCC1=O.Cn1ncc2ncc(-c3ccc(F)c(C(F)F)c3)cc21.
What is the InChIKey of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-methylpyrazolo[4,5-b]pyridine;1-methylpyrrolidin-2-one?
The InChIKey is AHHMMFPKRIEYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3.C5H9NO/c1-20-13-5-9(6-18-12(13)7-19-20)8-2-3-11(15)10(4-8)14(16)17;1-6-4-2-3-5(6)7/h2-7,14H,1H3;2-4H2,1H3.
What are the key properties of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-methylpyrazolo[4,5-b]pyridine;1-methylpyrrolidin-2-one?
6-[3-(difluoromethyl)-4-fluorophenyl]-1-methylpyrazolo[4,5-b]pyridine;1-methylpyrrolidin-2-one has a molecular weight of 376.38 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(difluoromethyl)-4-fluorophenyl]-1-methylpyrazolo[4,5-b]pyridine;1-methylpyrrolidin-2-one is sourced from PubChem (CID 155738078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).