5-(2-methoxyphenyl)-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one

C21H20N2O3 — CID 118706140

IUPAC5-(2-methoxyphenyl)-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one
SMILESCOc1ccccc1C1CCn2nc(COc3ccccc3)cc2C1=O
InChIInChI=1S/C21H20N2O3/c1-25-20-10-6-5-9-17(20)18-11-12-23-19(21(18)24)13-15(22-23)14-26-16-7-3-2-4-8-16/h2-10,13,18H,11-12,14H2,1H3
InChIKeyORSZXICPDDDNMX-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.84
Rot. Bonds5

About 5-(2-methoxyphenyl)-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one

5-(2-methoxyphenyl)-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one (PubChem CID 118706140) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one
PubChem CID118706140
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name5-(2-methoxyphenyl)-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one
SMILESCOc1ccccc1C1CCn2nc(COc3ccccc3)cc2C1=O
InChIInChI=1S/C21H20N2O3/c1-25-20-10-6-5-9-17(20)18-11-12-23-19(21(18)24)13-15(22-23)14-26-16-7-3-2-4-8-16/h2-10,13,18H,11-12,14H2,1H3
InChIKeyORSZXICPDDDNMX-UHFFFAOYSA-N
XLogP3.84
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 1-benzyl-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate
CID 15991002
5-(4-fluorophenyl)-2-(p-tolyloxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 57410027
5-(4-Methylphenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973913
5-(4-Methoxyphenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974041
2-(phenoxymethyl)-6,7-dihydropyrazolo(1,5-a)pyridin-4(5H)-one
CID 70660712
methyl 1-{[3-(1-benzofuran-2-yl)-1-benzyl-1H-pyrazol-4-yl]methyl}-4-piperidinecarboxylate
CID 16188798
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
5,5-Dimethyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one
CID 118706757
2-(Phenoxymethyl)spiro[6,7-dihydropyrazolo[1,5-a]pyridine-5,1'-cyclopentane]-4-one
CID 118706758
5-(4-Fluorophenyl)-5-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one
CID 118706760

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one?
The IUPAC name of 5-(2-methoxyphenyl)-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one (CID 118706140) is 5-(2-methoxyphenyl)-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one.
What is the SMILES notation for 5-(2-methoxyphenyl)-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one?
The canonical SMILES for 5-(2-methoxyphenyl)-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one is COc1ccccc1C1CCn2nc(COc3ccccc3)cc2C1=O.
What is the InChIKey of 5-(2-methoxyphenyl)-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one?
The InChIKey is ORSZXICPDDDNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-25-20-10-6-5-9-17(20)18-11-12-23-19(21(18)24)13-15(22-23)14-26-16-7-3-2-4-8-16/h2-10,13,18H,11-12,14H2,1H3.
What are the key properties of 5-(2-methoxyphenyl)-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one?
5-(2-methoxyphenyl)-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one has a molecular weight of 348.40 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one is sourced from PubChem (CID 118706140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).