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

C20H22FN3O2 — CID 75259205

IUPAC(4-fluorophenyl)-[3-(3-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCOc1cccc(C2NNC3CCN(C(=O)c4ccc(F)cc4)CC32)c1
InChIInChI=1S/C20H22FN3O2/c1-26-16-4-2-3-14(11-16)19-17-12-24(10-9-18(17)22-23-19)20(25)13-5-7-15(21)8-6-13/h2-8,11,17-19,22-23H,9-10,12H2,1H3
InChIKeyWJJKGPXWTKKRRL-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.51
Rot. Bonds3

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

(4-fluorophenyl)-[3-(3-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 75259205) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is (4-fluorophenyl)-[3-(3-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[3-(3-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone
PubChem CID75259205
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name(4-fluorophenyl)-[3-(3-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCOc1cccc(C2NNC3CCN(C(=O)c4ccc(F)cc4)CC32)c1
InChIInChI=1S/C20H22FN3O2/c1-26-16-4-2-3-14(11-16)19-17-12-24(10-9-18(17)22-23-19)20(25)13-5-7-15(21)8-6-13/h2-8,11,17-19,22-23H,9-10,12H2,1H3
InChIKeyWJJKGPXWTKKRRL-UHFFFAOYSA-N
XLogP2.51
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[4-[3-(2-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carbonyl]phenyl]ethanone
CID 74804665
[3-(3-chlorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-(2-chloro-4-pyridinyl)methanone
CID 75259806
(4-fluorophenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 124942356
1-(4-fluorobenzoyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 18104565
(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
(4-fluorophenyl)-[3-(4-methoxyphenyl)-4-methylpiperidin-1-yl]methanone
CID 153340115
(3,5-dimethoxyphenyl)-[(3S,4S)-3-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]methanone
CID 50966679
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
(3-methoxyphenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 740543
[4-(4-fluoroanilino)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 3488973
(4-fluorophenyl)-[3-(3-methoxyphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 42863864
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 38388248

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[3-(3-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[3-(3-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone (CID 75259205) is (4-fluorophenyl)-[3-(3-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[3-(3-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[3-(3-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone is COc1cccc(C2NNC3CCN(C(=O)c4ccc(F)cc4)CC32)c1.
What is the InChIKey of (4-fluorophenyl)-[3-(3-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The InChIKey is WJJKGPXWTKKRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-26-16-4-2-3-14(11-16)19-17-12-24(10-9-18(17)22-23-19)20(25)13-5-7-15(21)8-6-13/h2-8,11,17-19,22-23H,9-10,12H2,1H3.
What are the key properties of (4-fluorophenyl)-[3-(3-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
(4-fluorophenyl)-[3-(3-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone has a molecular weight of 355.41 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[3-(3-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone is sourced from PubChem (CID 75259205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).