5-(hydroxymethyl)-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one

C27H22N2O3 — CID 147154722

IUPAC5-(hydroxymethyl)-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one
SMILESCOc1ccc(C2=C(CO)Cc3c(-c4ccccc4)c(-c4ccccc4)nn3C2=O)cc1
InChIInChI=1S/C27H22N2O3/c1-32-22-14-12-19(13-15-22)24-21(17-30)16-23-25(18-8-4-2-5-9-18)26(28-29(23)27(24)31)20-10-6-3-7-11-20/h2-15,30H,16-17H2,1H3
InChIKeyBURDCOWFNAGAGS-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.87
Rot. Bonds5

About 5-(hydroxymethyl)-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one

5-(hydroxymethyl)-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one (PubChem CID 147154722) has the molecular formula C27H22N2O3 and a molecular weight of 422.48 g/mol. Its IUPAC name is 5-(hydroxymethyl)-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one
PubChem CID147154722
Molecular FormulaC27H22N2O3
Molecular Weight422.48 g/mol
Exact Mass422.16
IUPAC Name5-(hydroxymethyl)-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one
SMILESCOc1ccc(C2=C(CO)Cc3c(-c4ccccc4)c(-c4ccccc4)nn3C2=O)cc1
InChIInChI=1S/C27H22N2O3/c1-32-22-14-12-19(13-15-22)24-21(17-30)16-23-25(18-8-4-2-5-9-18)26(28-29(23)27(24)31)20-10-6-3-7-11-20/h2-15,30H,16-17H2,1H3
InChIKeyBURDCOWFNAGAGS-UHFFFAOYSA-N
XLogP4.87
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one?
The IUPAC name of 5-(hydroxymethyl)-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one (CID 147154722) is 5-(hydroxymethyl)-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one.
What is the SMILES notation for 5-(hydroxymethyl)-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one?
The canonical SMILES for 5-(hydroxymethyl)-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one is COc1ccc(C2=C(CO)Cc3c(-c4ccccc4)c(-c4ccccc4)nn3C2=O)cc1.
What is the InChIKey of 5-(hydroxymethyl)-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one?
The InChIKey is BURDCOWFNAGAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O3/c1-32-22-14-12-19(13-15-22)24-21(17-30)16-23-25(18-8-4-2-5-9-18)26(28-29(23)27(24)31)20-10-6-3-7-11-20/h2-15,30H,16-17H2,1H3.
What are the key properties of 5-(hydroxymethyl)-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one?
5-(hydroxymethyl)-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one has a molecular weight of 422.48 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one is sourced from PubChem (CID 147154722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).