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

C20H17BrF2N4O — CID 71533245

IUPAC1-[3-(4-bromo-2-pyridinyl)-1-[(2,4-difluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3cc(Br)ccn3)nn2Cc2ccc(F)cc2F)C1
InChIInChI=1S/C20H17BrF2N4O/c1-12(28)26-7-5-19-16(11-26)20(18-8-14(21)4-6-24-18)25-27(19)10-13-2-3-15(22)9-17(13)23/h2-4,6,8-9H,5,7,10-11H2,1H3
InChIKeyXVIMIOUZEJAJTD-UHFFFAOYSA-N
MW447.28 g/mol
LogP3.94
Rot. Bonds3

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

1-[3-(4-bromo-2-pyridinyl)-1-[(2,4-difluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 71533245) has the molecular formula C20H17BrF2N4O and a molecular weight of 447.28 g/mol. Its IUPAC name is 1-[3-(4-bromo-2-pyridinyl)-1-[(2,4-difluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-bromo-2-pyridinyl)-1-[(2,4-difluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID71533245
Molecular FormulaC20H17BrF2N4O
Molecular Weight447.28 g/mol
Exact Mass446.06
IUPAC Name1-[3-(4-bromo-2-pyridinyl)-1-[(2,4-difluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3cc(Br)ccn3)nn2Cc2ccc(F)cc2F)C1
InChIInChI=1S/C20H17BrF2N4O/c1-12(28)26-7-5-19-16(11-26)20(18-8-14(21)4-6-24-18)25-27(19)10-13-2-3-15(22)9-17(13)23/h2-4,6,8-9H,5,7,10-11H2,1H3
InChIKeyXVIMIOUZEJAJTD-UHFFFAOYSA-N
XLogP3.94
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.28
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

FR-194921
CID 9821511
(3-Bromopyrazolo[1,5-a]pyridin-2-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
CID 57391358
1-[(3-Fluorophenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one
CID 122186074
1-[(3-Bromophenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one
CID 122186076
1-(4-(3-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-5-yl)piperidin-1-yl)ethanone
CID 22262550
1-(6-benzyl-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-2-[(2R,5R)-2-[(4-fluoropyrazol-1-yl)methyl]-5-methylpiperazin-1-yl]ethanone
CID 90232067
[2-(5-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone
CID 140268006
[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-methylphenyl)methanone
CID 140268009
[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone
CID 140268020
6-(2-Phenylpyrazolo[1,5-a]pyridin-3-yl)-2-propylpyridazin-3-one
CID 10544406
3-(1,3-Diphenylpyrazol-4-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)prop-2-en-1-one
CID 44522290
[4-[2-(2,4-Difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyridin-2-ylmethanone
CID 57394858

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-bromo-2-pyridinyl)-1-[(2,4-difluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-(4-bromo-2-pyridinyl)-1-[(2,4-difluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 71533245) is 1-[3-(4-bromo-2-pyridinyl)-1-[(2,4-difluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-(4-bromo-2-pyridinyl)-1-[(2,4-difluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-(4-bromo-2-pyridinyl)-1-[(2,4-difluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(-c3cc(Br)ccn3)nn2Cc2ccc(F)cc2F)C1.
What is the InChIKey of 1-[3-(4-bromo-2-pyridinyl)-1-[(2,4-difluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is XVIMIOUZEJAJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrF2N4O/c1-12(28)26-7-5-19-16(11-26)20(18-8-14(21)4-6-24-18)25-27(19)10-13-2-3-15(22)9-17(13)23/h2-4,6,8-9H,5,7,10-11H2,1H3.
What are the key properties of 1-[3-(4-bromo-2-pyridinyl)-1-[(2,4-difluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-(4-bromo-2-pyridinyl)-1-[(2,4-difluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 447.28 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-bromo-2-pyridinyl)-1-[(2,4-difluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 71533245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).