1-[3-(3-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone

C19H21FN4O — CID 74809428

IUPAC1-[3-(3-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCC2NNC(c3cccc(F)c3)C2C1
InChIInChI=1S/C19H21FN4O/c20-15-5-1-4-14(10-15)19-16-12-24(8-6-17(16)22-23-19)18(25)9-13-3-2-7-21-11-13/h1-5,7,10-11,16-17,19,22-23H,6,8-9,12H2
InChIKeyMAZPCZFHOVHZNU-UHFFFAOYSA-N
MW340.40 g/mol
LogP1.83
Rot. Bonds3

About 1-[3-(3-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone

1-[3-(3-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone (PubChem CID 74809428) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-[3-(3-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[3-(3-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone
PubChem CID74809428
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name1-[3-(3-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCC2NNC(c3cccc(F)c3)C2C1
InChIInChI=1S/C19H21FN4O/c20-15-5-1-4-14(10-15)19-16-12-24(8-6-17(16)22-23-19)18(25)9-13-3-2-7-21-11-13/h1-5,7,10-11,16-17,19,22-23H,6,8-9,12H2
InChIKeyMAZPCZFHOVHZNU-UHFFFAOYSA-N
XLogP1.83
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-(3-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone with MolForge

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Related Compounds

(5-ethyl-4-methylpyrazolidin-3-yl)-[3-(3-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 74778724
2-(3-fluorophenyl)-1-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 129401045
1-[(3R,3aR,7aS)-1-benzoyl-3-(4-fluorophenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-2-pyridin-3-ylethanone
CID 92574091
(4-fluorophenyl)-[3-(3-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 75259205
1-[3-(4-fluoroanilino)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 45251610
1-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 155504559
(3R)-3-(3-fluorophenyl)-3-[2-[(3S)-3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(pyridin-3-ylmethyl)pyrrolidine-2,5-dione
CID 42432776
1-(4-amino-3-methylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 79879332
1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 95845191
2-(3-fluorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone
CID 53151002
7-fluoro-3-[[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 146079002
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 112630744

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[3-(3-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone (CID 74809428) is 1-[3-(3-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[3-(3-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[3-(3-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone is O=C(Cc1cccnc1)N1CCC2NNC(c3cccc(F)c3)C2C1.
What is the InChIKey of 1-[3-(3-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone?
The InChIKey is MAZPCZFHOVHZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c20-15-5-1-4-14(10-15)19-16-12-24(8-6-17(16)22-23-19)18(25)9-13-3-2-7-21-11-13/h1-5,7,10-11,16-17,19,22-23H,6,8-9,12H2.
What are the key properties of 1-[3-(3-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone?
1-[3-(3-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone has a molecular weight of 340.40 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 74809428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).