2-(phenoxymethyl)spiro[6,7-dihydropyrazolo[1,5-a]pyridine-5,1'-cyclopentane]-4-one

C18H20N2O2 — CID 118706758

IUPAC2-(phenoxymethyl)spiro[6,7-dihydropyrazolo[1,5-a]pyridine-5,1'-cyclopentane]-4-one
SMILESO=C1c2cc(COc3ccccc3)nn2CCC12CCCC2
InChIInChI=1S/C18H20N2O2/c21-17-16-12-14(13-22-15-6-2-1-3-7-15)19-20(16)11-10-18(17)8-4-5-9-18/h1-3,6-7,12H,4-5,8-11,13H2
InChIKeyKOUMIVWSNGUQMY-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.61
Rot. Bonds3

About 2-(phenoxymethyl)spiro[6,7-dihydropyrazolo[1,5-a]pyridine-5,1'-cyclopentane]-4-one

2-(phenoxymethyl)spiro[6,7-dihydropyrazolo[1,5-a]pyridine-5,1'-cyclopentane]-4-one (PubChem CID 118706758) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(phenoxymethyl)spiro[6,7-dihydropyrazolo[1,5-a]pyridine-5,1'-cyclopentane]-4-one.

Molecular Properties

Compound Name2-(phenoxymethyl)spiro[6,7-dihydropyrazolo[1,5-a]pyridine-5,1'-cyclopentane]-4-one
PubChem CID118706758
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-(phenoxymethyl)spiro[6,7-dihydropyrazolo[1,5-a]pyridine-5,1'-cyclopentane]-4-one
SMILESO=C1c2cc(COc3ccccc3)nn2CCC12CCCC2
InChIInChI=1S/C18H20N2O2/c21-17-16-12-14(13-22-15-6-2-1-3-7-15)19-20(16)11-10-18(17)8-4-5-9-18/h1-3,6-7,12H,4-5,8-11,13H2
InChIKeyKOUMIVWSNGUQMY-UHFFFAOYSA-N
XLogP3.61
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-Methylphenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973913
2-(phenoxymethyl)-6,7-dihydropyrazolo(1,5-a)pyridin-4(5H)-one
CID 70660712
5-methyl-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one
CID 118706137
5-benzyl-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one
CID 118706138
5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one
CID 118706139
5-(2-methoxyphenyl)-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one
CID 118706140
5,5-Dimethyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one
CID 118706757
5-(4-Fluorophenyl)-5-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one
CID 118706760
5-(2-Methoxyphenyl)-5-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one
CID 118706761
4-methoxy-5,5-dimethyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyridine
CID 118706763
5,5-Dimethyl-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyridin-4-one
CID 118706954
5-(4-fluorophenyl)-2-phenylmethoxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one
CID 118706955

Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)spiro[6,7-dihydropyrazolo[1,5-a]pyridine-5,1'-cyclopentane]-4-one?
The IUPAC name of 2-(phenoxymethyl)spiro[6,7-dihydropyrazolo[1,5-a]pyridine-5,1'-cyclopentane]-4-one (CID 118706758) is 2-(phenoxymethyl)spiro[6,7-dihydropyrazolo[1,5-a]pyridine-5,1'-cyclopentane]-4-one.
What is the SMILES notation for 2-(phenoxymethyl)spiro[6,7-dihydropyrazolo[1,5-a]pyridine-5,1'-cyclopentane]-4-one?
The canonical SMILES for 2-(phenoxymethyl)spiro[6,7-dihydropyrazolo[1,5-a]pyridine-5,1'-cyclopentane]-4-one is O=C1c2cc(COc3ccccc3)nn2CCC12CCCC2.
What is the InChIKey of 2-(phenoxymethyl)spiro[6,7-dihydropyrazolo[1,5-a]pyridine-5,1'-cyclopentane]-4-one?
The InChIKey is KOUMIVWSNGUQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-17-16-12-14(13-22-15-6-2-1-3-7-15)19-20(16)11-10-18(17)8-4-5-9-18/h1-3,6-7,12H,4-5,8-11,13H2.
What are the key properties of 2-(phenoxymethyl)spiro[6,7-dihydropyrazolo[1,5-a]pyridine-5,1'-cyclopentane]-4-one?
2-(phenoxymethyl)spiro[6,7-dihydropyrazolo[1,5-a]pyridine-5,1'-cyclopentane]-4-one has a molecular weight of 296.37 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)spiro[6,7-dihydropyrazolo[1,5-a]pyridine-5,1'-cyclopentane]-4-one is sourced from PubChem (CID 118706758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).