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

C26H19ClN2O2 — CID 152823313

IUPAC5-chloro-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one
SMILESCOc1ccc(C2=C(Cl)Cc3c(-c4ccccc4)c(-c4ccccc4)nn3C2=O)cc1
InChIInChI=1S/C26H19ClN2O2/c1-31-20-14-12-18(13-15-20)23-21(27)16-22-24(17-8-4-2-5-9-17)25(28-29(22)26(23)30)19-10-6-3-7-11-19/h2-15H,16H2,1H3
InChIKeySUIDVCVWMNLOTC-UHFFFAOYSA-N
MW426.90 g/mol
LogP6.07
Rot. Bonds4

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

5-chloro-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one (PubChem CID 152823313) has the molecular formula C26H19ClN2O2 and a molecular weight of 426.90 g/mol. Its IUPAC name is 5-chloro-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one.

Molecular Properties

Compound Name5-chloro-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one
PubChem CID152823313
Molecular FormulaC26H19ClN2O2
Molecular Weight426.90 g/mol
Exact Mass426.11
IUPAC Name5-chloro-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one
SMILESCOc1ccc(C2=C(Cl)Cc3c(-c4ccccc4)c(-c4ccccc4)nn3C2=O)cc1
InChIInChI=1S/C26H19ClN2O2/c1-31-20-14-12-18(13-15-20)23-21(27)16-22-24(17-8-4-2-5-9-17)25(28-29(22)26(23)30)19-10-6-3-7-11-19/h2-15H,16H2,1H3
InChIKeySUIDVCVWMNLOTC-UHFFFAOYSA-N
XLogP6.07
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.90
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one?
The IUPAC name of 5-chloro-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one (CID 152823313) is 5-chloro-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one.
What is the SMILES notation for 5-chloro-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one?
The canonical SMILES for 5-chloro-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one is COc1ccc(C2=C(Cl)Cc3c(-c4ccccc4)c(-c4ccccc4)nn3C2=O)cc1.
What is the InChIKey of 5-chloro-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one?
The InChIKey is SUIDVCVWMNLOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClN2O2/c1-31-20-14-12-18(13-15-20)23-21(27)16-22-24(17-8-4-2-5-9-17)25(28-29(22)26(23)30)19-10-6-3-7-11-19/h2-15H,16H2,1H3.
What are the key properties of 5-chloro-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one?
5-chloro-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one has a molecular weight of 426.90 g/mol, XLogP of 6.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one is sourced from PubChem (CID 152823313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).