ethyl 2-[6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]acetate

C16H13F2N3O2 — CID 155389923

IUPACethyl 2-[6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]acetate
SMILESCCOC(=O)Cn1ncc2ncc(-c3ccc(F)c(F)c3)cc21
InChIInChI=1S/C16H13F2N3O2/c1-2-23-16(22)9-21-15-6-11(7-19-14(15)8-20-21)10-3-4-12(17)13(18)5-10/h3-8H,2,9H2,1H3
InChIKeyVTRBYCJBUKCUSF-UHFFFAOYSA-N
MW317.30 g/mol
LogP2.94
Rot. Bonds4

About ethyl 2-[6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]acetate

ethyl 2-[6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]acetate (PubChem CID 155389923) has the molecular formula C16H13F2N3O2 and a molecular weight of 317.30 g/mol. Its IUPAC name is ethyl 2-[6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]acetate
PubChem CID155389923
Molecular FormulaC16H13F2N3O2
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC Nameethyl 2-[6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]acetate
SMILESCCOC(=O)Cn1ncc2ncc(-c3ccc(F)c(F)c3)cc21
InChIInChI=1S/C16H13F2N3O2/c1-2-23-16(22)9-21-15-6-11(7-19-14(15)8-20-21)10-3-4-12(17)13(18)5-10/h3-8H,2,9H2,1H3
InChIKeyVTRBYCJBUKCUSF-UHFFFAOYSA-N
XLogP2.94
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-4-[6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]-3-methylbutan-2-one
CID 155389416
1-cyclopropyl-2-[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone
CID 155386064
1-[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]butan-2-one
CID 155386010
6-(4-fluoro-3-methylphenyl)-1-(2-methoxyethyl)pyrazolo[4,5-b]pyridine;2,2,2-trifluoroacetic acid
CID 155386097
1-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]butan-2-ol
CID 155386146
2-[6-(3-chloro-4-fluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]-1-cyclopropylethanone
CID 155385993
N'-acetyl-2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]acetohydrazide
CID 155388788
2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]-1-(3-fluoro-4-hydroxypyrrolidin-1-yl)ethanone
CID 155389856
1-(azetidin-1-yl)-2-[6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone
CID 155389861
6-(3,4-difluorophenyl)-1-[(6-methyl-1,2-dihydropyridin-5-yl)methyl]pyrazolo[4,5-b]pyridine
CID 155399966
6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(ethylsulfonylmethyl)pyrazolo[4,5-b]pyridine
CID 155386037
2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]-1-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]ethanone
CID 155389987

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]acetate?
The IUPAC name of ethyl 2-[6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]acetate (CID 155389923) is ethyl 2-[6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]acetate?
The canonical SMILES for ethyl 2-[6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]acetate is CCOC(=O)Cn1ncc2ncc(-c3ccc(F)c(F)c3)cc21.
What is the InChIKey of ethyl 2-[6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]acetate?
The InChIKey is VTRBYCJBUKCUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O2/c1-2-23-16(22)9-21-15-6-11(7-19-14(15)8-20-21)10-3-4-12(17)13(18)5-10/h3-8H,2,9H2,1H3.
What are the key properties of ethyl 2-[6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]acetate?
ethyl 2-[6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]acetate has a molecular weight of 317.30 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]acetate is sourced from PubChem (CID 155389923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).