1-[1-[(2,4-difluorophenyl)methyl]-3-(2-fluoro-5-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C22H20F3N3O2 — CID 71533081

IUPAC1-[1-[(2,4-difluorophenyl)methyl]-3-(2-fluoro-5-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCOc1ccc(F)c(-c2nn(Cc3ccc(F)cc3F)c3c2CN(C(C)=O)CC3)c1
InChIInChI=1S/C22H20F3N3O2/c1-13(29)27-8-7-21-18(12-27)22(17-10-16(30-2)5-6-19(17)24)26-28(21)11-14-3-4-15(23)9-20(14)25/h3-6,9-10H,7-8,11-12H2,1-2H3
InChIKeyODGYEKHQCHJDKO-UHFFFAOYSA-N
MW415.42 g/mol
LogP3.93
Rot. Bonds4

About 1-[1-[(2,4-difluorophenyl)methyl]-3-(2-fluoro-5-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[1-[(2,4-difluorophenyl)methyl]-3-(2-fluoro-5-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 71533081) has the molecular formula C22H20F3N3O2 and a molecular weight of 415.42 g/mol. Its IUPAC name is 1-[1-[(2,4-difluorophenyl)methyl]-3-(2-fluoro-5-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(2,4-difluorophenyl)methyl]-3-(2-fluoro-5-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID71533081
Molecular FormulaC22H20F3N3O2
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC Name1-[1-[(2,4-difluorophenyl)methyl]-3-(2-fluoro-5-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCOc1ccc(F)c(-c2nn(Cc3ccc(F)cc3F)c3c2CN(C(C)=O)CC3)c1
InChIInChI=1S/C22H20F3N3O2/c1-13(29)27-8-7-21-18(12-27)22(17-10-16(30-2)5-6-19(17)24)26-28(21)11-14-3-4-15(23)9-20(14)25/h3-6,9-10H,7-8,11-12H2,1-2H3
InChIKeyODGYEKHQCHJDKO-UHFFFAOYSA-N
XLogP3.93
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-[(2,4-difluorophenyl)methyl]-3-(2-fluoro-5-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone with MolForge

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Related Compounds

3-(2-Fluorophenyl)-2-[(3-methoxyphenyl)methyl]-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 168296108
1-[1-((1R,2R)-4,6-Difluoro-2-hydroxy-indan-1-yl)-3-(3-trifluoromethoxy-phenyl)-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl]-ethanone
CID 71515595
1-[1-[(1R,2R)-4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2-fluoro-5-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71515597
1-[1-[(1R,2R)-4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71515782
1-[1-[(1S,2S)-4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71515932
1-[1-[(2,4-difluorophenyl)methyl]-3-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71532978
1-[1-[(2,4-difluorophenyl)methyl]-3-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71533024
1-[1-[1-(4-fluorophenyl)ethyl]-3-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71533026
1-[1-[(2,4-difluorophenyl)methyl]-3-(4-fluoro-3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71533027
US11597728, Example 389
CID 146480308
US11597728, Example 387
CID 146480314
US11597728, Example 66
CID 168058519

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,4-difluorophenyl)methyl]-3-(2-fluoro-5-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[1-[(2,4-difluorophenyl)methyl]-3-(2-fluoro-5-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 71533081) is 1-[1-[(2,4-difluorophenyl)methyl]-3-(2-fluoro-5-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[1-[(2,4-difluorophenyl)methyl]-3-(2-fluoro-5-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[1-[(2,4-difluorophenyl)methyl]-3-(2-fluoro-5-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is COc1ccc(F)c(-c2nn(Cc3ccc(F)cc3F)c3c2CN(C(C)=O)CC3)c1.
What is the InChIKey of 1-[1-[(2,4-difluorophenyl)methyl]-3-(2-fluoro-5-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is ODGYEKHQCHJDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O2/c1-13(29)27-8-7-21-18(12-27)22(17-10-16(30-2)5-6-19(17)24)26-28(21)11-14-3-4-15(23)9-20(14)25/h3-6,9-10H,7-8,11-12H2,1-2H3.
What are the key properties of 1-[1-[(2,4-difluorophenyl)methyl]-3-(2-fluoro-5-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[1-[(2,4-difluorophenyl)methyl]-3-(2-fluoro-5-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 415.42 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,4-difluorophenyl)methyl]-3-(2-fluoro-5-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 71533081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).