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

C27H21ClN2O2 — CID 157086757

IUPAC5-(chloromethyl)-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one
SMILESCOc1ccc(C2=C(CCl)Cc3c(-c4ccccc4)c(-c4ccccc4)nn3C2=O)cc1
InChIInChI=1S/C27H21ClN2O2/c1-32-22-14-12-19(13-15-22)24-21(17-28)16-23-25(18-8-4-2-5-9-18)26(29-30(23)27(24)31)20-10-6-3-7-11-20/h2-15H,16-17H2,1H3
InChIKeyYRZBXZDNAMPMRG-UHFFFAOYSA-N
MW440.93 g/mol
LogP6.11
Rot. Bonds5

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

5-(chloromethyl)-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one (PubChem CID 157086757) has the molecular formula C27H21ClN2O2 and a molecular weight of 440.93 g/mol. Its IUPAC name is 5-(chloromethyl)-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one.

Molecular Properties

Compound Name5-(chloromethyl)-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one
PubChem CID157086757
Molecular FormulaC27H21ClN2O2
Molecular Weight440.93 g/mol
Exact Mass440.13
IUPAC Name5-(chloromethyl)-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one
SMILESCOc1ccc(C2=C(CCl)Cc3c(-c4ccccc4)c(-c4ccccc4)nn3C2=O)cc1
InChIInChI=1S/C27H21ClN2O2/c1-32-22-14-12-19(13-15-22)24-21(17-28)16-23-25(18-8-4-2-5-9-18)26(29-30(23)27(24)31)20-10-6-3-7-11-20/h2-15H,16-17H2,1H3
InChIKeyYRZBXZDNAMPMRG-UHFFFAOYSA-N
XLogP6.11
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.93
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one?
The IUPAC name of 5-(chloromethyl)-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one (CID 157086757) is 5-(chloromethyl)-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one.
What is the SMILES notation for 5-(chloromethyl)-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one?
The canonical SMILES for 5-(chloromethyl)-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one is COc1ccc(C2=C(CCl)Cc3c(-c4ccccc4)c(-c4ccccc4)nn3C2=O)cc1.
What is the InChIKey of 5-(chloromethyl)-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one?
The InChIKey is YRZBXZDNAMPMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClN2O2/c1-32-22-14-12-19(13-15-22)24-21(17-28)16-23-25(18-8-4-2-5-9-18)26(29-30(23)27(24)31)20-10-6-3-7-11-20/h2-15H,16-17H2,1H3.
What are the key properties of 5-(chloromethyl)-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one?
5-(chloromethyl)-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one has a molecular weight of 440.93 g/mol, XLogP of 6.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one is sourced from PubChem (CID 157086757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).