1-[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]butan-2-one

C17H14F3N3O2 — CID 155386010

IUPAC1-[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]butan-2-one
SMILESCCC(=O)Cn1ncc2ncc(-c3ccc(F)c(OC(F)F)c3)cc21
InChIInChI=1S/C17H14F3N3O2/c1-2-12(24)9-23-15-5-11(7-21-14(15)8-22-23)10-3-4-13(18)16(6-10)25-17(19)20/h3-8,17H,2,9H2,1H3
InChIKeyUWVUKDQGMGXDNN-UHFFFAOYSA-N
MW349.31 g/mol
LogP3.82
Rot. Bonds6

About 1-[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]butan-2-one

1-[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]butan-2-one (PubChem CID 155386010) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is 1-[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]butan-2-one.

Molecular Properties

Compound Name1-[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]butan-2-one
PubChem CID155386010
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC Name1-[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]butan-2-one
SMILESCCC(=O)Cn1ncc2ncc(-c3ccc(F)c(OC(F)F)c3)cc21
InChIInChI=1S/C17H14F3N3O2/c1-2-12(24)9-23-15-5-11(7-21-14(15)8-22-23)10-3-4-13(18)16(6-10)25-17(19)20/h3-8,17H,2,9H2,1H3
InChIKeyUWVUKDQGMGXDNN-UHFFFAOYSA-N
XLogP3.82
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]butan-2-one?
The IUPAC name of 1-[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]butan-2-one (CID 155386010) is 1-[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]butan-2-one.
What is the SMILES notation for 1-[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]butan-2-one?
The canonical SMILES for 1-[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]butan-2-one is CCC(=O)Cn1ncc2ncc(-c3ccc(F)c(OC(F)F)c3)cc21.
What is the InChIKey of 1-[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]butan-2-one?
The InChIKey is UWVUKDQGMGXDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c1-2-12(24)9-23-15-5-11(7-21-14(15)8-22-23)10-3-4-13(18)16(6-10)25-17(19)20/h3-8,17H,2,9H2,1H3.
What are the key properties of 1-[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]butan-2-one?
1-[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]butan-2-one has a molecular weight of 349.31 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]butan-2-one is sourced from PubChem (CID 155386010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).