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

C19H17F3N4O — CID 155386046

IUPAC5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CCC1Cn1ncc2ncc(-c3ccc(F)c(C(F)F)c3)cc21
InChIInChI=1S/C19H17F3N4O/c1-25-13(3-5-18(25)27)10-26-17-7-12(8-23-16(17)9-24-26)11-2-4-15(20)14(6-11)19(21)22/h2,4,6-9,13,19H,3,5,10H2,1H3
InChIKeyHVZIABNDESTIOL-UHFFFAOYSA-N
MW374.37 g/mol
LogP3.80
Rot. Bonds4

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

5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1-methylpyrrolidin-2-one (PubChem CID 155386046) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is 5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1-methylpyrrolidin-2-one
PubChem CID155386046
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CCC1Cn1ncc2ncc(-c3ccc(F)c(C(F)F)c3)cc21
InChIInChI=1S/C19H17F3N4O/c1-25-13(3-5-18(25)27)10-26-17-7-12(8-23-16(17)9-24-26)11-2-4-15(20)14(6-11)19(21)22/h2,4,6-9,13,19H,3,5,10H2,1H3
InChIKeyHVZIABNDESTIOL-UHFFFAOYSA-N
XLogP3.80
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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]-1-methylpyrrolidin-2-one?
The IUPAC name of 5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1-methylpyrrolidin-2-one (CID 155386046) is 5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1-methylpyrrolidin-2-one is CN1C(=O)CCC1Cn1ncc2ncc(-c3ccc(F)c(C(F)F)c3)cc21.
What is the InChIKey of 5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1-methylpyrrolidin-2-one?
The InChIKey is HVZIABNDESTIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c1-25-13(3-5-18(25)27)10-26-17-7-12(8-23-16(17)9-24-26)11-2-4-15(20)14(6-11)19(21)22/h2,4,6-9,13,19H,3,5,10H2,1H3.
What are the key properties of 5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1-methylpyrrolidin-2-one?
5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1-methylpyrrolidin-2-one has a molecular weight of 374.37 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 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]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 155386046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).