5-(2-methoxyphenyl)-5-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one

C22H22N2O3 — CID 118706761

IUPAC5-(2-methoxyphenyl)-5-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one
SMILESCOc1ccccc1C1(C)CCn2nc(COc3ccccc3)cc2C1=O
InChIInChI=1S/C22H22N2O3/c1-22(18-10-6-7-11-20(18)26-2)12-13-24-19(21(22)25)14-16(23-24)15-27-17-8-4-3-5-9-17/h3-11,14H,12-13,15H2,1-2H3
InChIKeyNDYXDJVELNSTTR-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.01
Rot. Bonds5

About 5-(2-methoxyphenyl)-5-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one

5-(2-methoxyphenyl)-5-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one (PubChem CID 118706761) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-5-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-5-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one
PubChem CID118706761
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name5-(2-methoxyphenyl)-5-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one
SMILESCOc1ccccc1C1(C)CCn2nc(COc3ccccc3)cc2C1=O
InChIInChI=1S/C22H22N2O3/c1-22(18-10-6-7-11-20(18)26-2)12-13-24-19(21(22)25)14-16(23-24)15-27-17-8-4-3-5-9-17/h3-11,14H,12-13,15H2,1-2H3
InChIKeyNDYXDJVELNSTTR-UHFFFAOYSA-N
XLogP4.01
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-5-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one?
The IUPAC name of 5-(2-methoxyphenyl)-5-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one (CID 118706761) is 5-(2-methoxyphenyl)-5-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one.
What is the SMILES notation for 5-(2-methoxyphenyl)-5-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one?
The canonical SMILES for 5-(2-methoxyphenyl)-5-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one is COc1ccccc1C1(C)CCn2nc(COc3ccccc3)cc2C1=O.
What is the InChIKey of 5-(2-methoxyphenyl)-5-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one?
The InChIKey is NDYXDJVELNSTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-22(18-10-6-7-11-20(18)26-2)12-13-24-19(21(22)25)14-16(23-24)15-27-17-8-4-3-5-9-17/h3-11,14H,12-13,15H2,1-2H3.
What are the key properties of 5-(2-methoxyphenyl)-5-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one?
5-(2-methoxyphenyl)-5-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one has a molecular weight of 362.43 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-5-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one is sourced from PubChem (CID 118706761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).