6-(3-chloro-4-hydroxyphenyl)-5-methyl-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one

C26H19ClN2O2 — CID 148643910

IUPAC6-(3-chloro-4-hydroxyphenyl)-5-methyl-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one
SMILESCC1=C(c2ccc(O)c(Cl)c2)C(=O)n2nc(-c3ccccc3)c(-c3ccccc3)c2C1
InChIInChI=1S/C26H19ClN2O2/c1-16-14-21-24(17-8-4-2-5-9-17)25(18-10-6-3-7-11-18)28-29(21)26(31)23(16)19-12-13-22(30)20(27)15-19/h2-13,15,30H,14H2,1H3
InChIKeyNKOSWSWYACEJAO-UHFFFAOYSA-N
MW426.90 g/mol
LogP6.25
Rot. Bonds3

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

6-(3-chloro-4-hydroxyphenyl)-5-methyl-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one (PubChem CID 148643910) has the molecular formula C26H19ClN2O2 and a molecular weight of 426.90 g/mol. Its IUPAC name is 6-(3-chloro-4-hydroxyphenyl)-5-methyl-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one.

Molecular Properties

Compound Name6-(3-chloro-4-hydroxyphenyl)-5-methyl-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one
PubChem CID148643910
Molecular FormulaC26H19ClN2O2
Molecular Weight426.90 g/mol
Exact Mass426.11
IUPAC Name6-(3-chloro-4-hydroxyphenyl)-5-methyl-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one
SMILESCC1=C(c2ccc(O)c(Cl)c2)C(=O)n2nc(-c3ccccc3)c(-c3ccccc3)c2C1
InChIInChI=1S/C26H19ClN2O2/c1-16-14-21-24(17-8-4-2-5-9-17)25(18-10-6-3-7-11-18)28-29(21)26(31)23(16)19-12-13-22(30)20(27)15-19/h2-13,15,30H,14H2,1H3
InChIKeyNKOSWSWYACEJAO-UHFFFAOYSA-N
XLogP6.25
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.90
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-hydroxyphenyl)-5-methyl-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one?
The IUPAC name of 6-(3-chloro-4-hydroxyphenyl)-5-methyl-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one (CID 148643910) is 6-(3-chloro-4-hydroxyphenyl)-5-methyl-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one.
What is the SMILES notation for 6-(3-chloro-4-hydroxyphenyl)-5-methyl-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one?
The canonical SMILES for 6-(3-chloro-4-hydroxyphenyl)-5-methyl-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one is CC1=C(c2ccc(O)c(Cl)c2)C(=O)n2nc(-c3ccccc3)c(-c3ccccc3)c2C1.
What is the InChIKey of 6-(3-chloro-4-hydroxyphenyl)-5-methyl-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one?
The InChIKey is NKOSWSWYACEJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClN2O2/c1-16-14-21-24(17-8-4-2-5-9-17)25(18-10-6-3-7-11-18)28-29(21)26(31)23(16)19-12-13-22(30)20(27)15-19/h2-13,15,30H,14H2,1H3.
What are the key properties of 6-(3-chloro-4-hydroxyphenyl)-5-methyl-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one?
6-(3-chloro-4-hydroxyphenyl)-5-methyl-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one has a molecular weight of 426.90 g/mol, XLogP of 6.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-hydroxyphenyl)-5-methyl-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one is sourced from PubChem (CID 148643910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).