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

C21H18F4N4O — CID 71533188

IUPAC1-[1-[(4-fluorophenyl)methyl]-3-[6-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3cccc(C(F)(F)F)n3)nn2Cc2ccc(F)cc2)C1
InChIInChI=1S/C21H18F4N4O/c1-13(30)28-10-9-18-16(12-28)20(17-3-2-4-19(26-17)21(23,24)25)27-29(18)11-14-5-7-15(22)8-6-14/h2-8H,9-12H2,1H3
InChIKeyFWEYOUTVRSDFHI-UHFFFAOYSA-N
MW418.39 g/mol
LogP4.06
Rot. Bonds3

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

1-[1-[(4-fluorophenyl)methyl]-3-[6-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 71533188) has the molecular formula C21H18F4N4O and a molecular weight of 418.39 g/mol. Its IUPAC name is 1-[1-[(4-fluorophenyl)methyl]-3-[6-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(4-fluorophenyl)methyl]-3-[6-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID71533188
Molecular FormulaC21H18F4N4O
Molecular Weight418.39 g/mol
Exact Mass418.14
IUPAC Name1-[1-[(4-fluorophenyl)methyl]-3-[6-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3cccc(C(F)(F)F)n3)nn2Cc2ccc(F)cc2)C1
InChIInChI=1S/C21H18F4N4O/c1-13(30)28-10-9-18-16(12-28)20(17-3-2-4-19(26-17)21(23,24)25)27-29(18)11-14-5-7-15(22)8-6-14/h2-8H,9-12H2,1H3
InChIKeyFWEYOUTVRSDFHI-UHFFFAOYSA-N
XLogP4.06
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.39
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

FR-194921
CID 9821511
1-({4-[6-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-1-yl]phenyl}methyl)-2-pyrrolidinone
CID 24951944
2-[3-(3-Fluorophenyl)indazol-1-yl]-1-piperidin-1-ylethanone
CID 56837421
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-(4-(3-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-5-yl)piperidin-1-yl)ethanone
CID 22262550
[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
[4-[2-(2,4-Difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 57398388

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluorophenyl)methyl]-3-[6-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[1-[(4-fluorophenyl)methyl]-3-[6-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 71533188) is 1-[1-[(4-fluorophenyl)methyl]-3-[6-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[1-[(4-fluorophenyl)methyl]-3-[6-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[1-[(4-fluorophenyl)methyl]-3-[6-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(-c3cccc(C(F)(F)F)n3)nn2Cc2ccc(F)cc2)C1.
What is the InChIKey of 1-[1-[(4-fluorophenyl)methyl]-3-[6-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is FWEYOUTVRSDFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F4N4O/c1-13(30)28-10-9-18-16(12-28)20(17-3-2-4-19(26-17)21(23,24)25)27-29(18)11-14-5-7-15(22)8-6-14/h2-8H,9-12H2,1H3.
What are the key properties of 1-[1-[(4-fluorophenyl)methyl]-3-[6-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[1-[(4-fluorophenyl)methyl]-3-[6-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 418.39 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-fluorophenyl)methyl]-3-[6-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 71533188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).