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

C29H20ClN3O — CID 148783799

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

5-(chloromethyl)-2,3-diphenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one (PubChem CID 148783799) has the molecular formula C29H20ClN3O and a molecular weight of 461.95 g/mol. Its IUPAC name is 5-(chloromethyl)-2,3-diphenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one.

Molecular Properties

• Compound Name: 5-(chloromethyl)-2,3-diphenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one
• PubChem CID: 148783799
• Molecular Formula: C29H20ClN3O
• Molecular Weight: 461.95 g/mol
• Exact Mass: 461.13
• IUPAC Name: 5-(chloromethyl)-2,3-diphenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one
• SMILES: O=C1C(c2ccc3ncccc3c2)=C(CCl)Cc2c(-c3ccccc3)c(-c3ccccc3)nn21
• InChI: InChI=1S/C29H20ClN3O/c30-18-23-17-25-27(19-8-3-1-4-9-19)28(20-10-5-2-6-11-20)32-33(25)29(34)26(23)22-13-14-24-21(16-22)12-7-15-31-24/h1-16H,17-18H2
• InChIKey: OKVCOBGVCGJDKK-UHFFFAOYSA-N
• XLogP: 6.65
• TPSA: 47.78 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.95
LogP ≤ 5	6.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2,3-diphenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one?

The IUPAC name of 5-(chloromethyl)-2,3-diphenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one (CID 148783799) is 5-(chloromethyl)-2,3-diphenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one.

What is the SMILES notation for 5-(chloromethyl)-2,3-diphenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one?

The canonical SMILES for 5-(chloromethyl)-2,3-diphenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one is O=C1C(c2ccc3ncccc3c2)=C(CCl)Cc2c(-c3ccccc3)c(-c3ccccc3)nn21.

What is the InChIKey of 5-(chloromethyl)-2,3-diphenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one?

The InChIKey is OKVCOBGVCGJDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20ClN3O/c30-18-23-17-25-27(19-8-3-1-4-9-19)28(20-10-5-2-6-11-20)32-33(25)29(34)26(23)22-13-14-24-21(16-22)12-7-15-31-24/h1-16H,17-18H2.

What are the key properties of 5-(chloromethyl)-2,3-diphenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one?

5-(chloromethyl)-2,3-diphenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one has a molecular weight of 461.95 g/mol, XLogP of 6.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(chloromethyl)-2,3-diphenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one is sourced from PubChem (CID 148783799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).