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

C29H26N2O3 — CID 146989103

IUPAC5-(3-hydroxypropyl)-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one
SMILESCOc1ccc(C2=C(CCCO)Cc3c(-c4ccccc4)c(-c4ccccc4)nn3C2=O)cc1
InChIInChI=1S/C29H26N2O3/c1-34-24-16-14-21(15-17-24)26-23(13-8-18-32)19-25-27(20-9-4-2-5-10-20)28(30-31(25)29(26)33)22-11-6-3-7-12-22/h2-7,9-12,14-17,32H,8,13,18-19H2,1H3
InChIKeyAPVOMMGAWZSXGW-UHFFFAOYSA-N
MW450.54 g/mol
LogP5.65
Rot. Bonds7

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

5-(3-hydroxypropyl)-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one (PubChem CID 146989103) has the molecular formula C29H26N2O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is 5-(3-hydroxypropyl)-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one.

Molecular Properties

Compound Name5-(3-hydroxypropyl)-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one
PubChem CID146989103
Molecular FormulaC29H26N2O3
Molecular Weight450.54 g/mol
Exact Mass450.19
IUPAC Name5-(3-hydroxypropyl)-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one
SMILESCOc1ccc(C2=C(CCCO)Cc3c(-c4ccccc4)c(-c4ccccc4)nn3C2=O)cc1
InChIInChI=1S/C29H26N2O3/c1-34-24-16-14-21(15-17-24)26-23(13-8-18-32)19-25-27(20-9-4-2-5-10-20)28(30-31(25)29(26)33)22-11-6-3-7-12-22/h2-7,9-12,14-17,32H,8,13,18-19H2,1H3
InChIKeyAPVOMMGAWZSXGW-UHFFFAOYSA-N
XLogP5.65
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxypropyl)-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one?
The IUPAC name of 5-(3-hydroxypropyl)-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one (CID 146989103) is 5-(3-hydroxypropyl)-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one.
What is the SMILES notation for 5-(3-hydroxypropyl)-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one?
The canonical SMILES for 5-(3-hydroxypropyl)-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one is COc1ccc(C2=C(CCCO)Cc3c(-c4ccccc4)c(-c4ccccc4)nn3C2=O)cc1.
What is the InChIKey of 5-(3-hydroxypropyl)-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one?
The InChIKey is APVOMMGAWZSXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O3/c1-34-24-16-14-21(15-17-24)26-23(13-8-18-32)19-25-27(20-9-4-2-5-10-20)28(30-31(25)29(26)33)22-11-6-3-7-12-22/h2-7,9-12,14-17,32H,8,13,18-19H2,1H3.
What are the key properties of 5-(3-hydroxypropyl)-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one?
5-(3-hydroxypropyl)-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one has a molecular weight of 450.54 g/mol, XLogP of 5.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypropyl)-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one is sourced from PubChem (CID 146989103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).