4-(4-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione

About 4-(4-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione

4-(4-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 71557326) has the molecular formula C24H15Cl2FN4O2 and a molecular weight of 481.31 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name	4-(4-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID	71557326
Molecular Formula	C24H15Cl2FN4O2
Molecular Weight	481.31 g/mol
Exact Mass	480.06
IUPAC Name	4-(4-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILES	O=c1c2c(-c3ccc(Cl)cc3F)n(Cc3cccnc3)c(=O)cc2[nH]n1-c1ccccc1Cl
InChI	InChI=1S/C24H15Cl2FN4O2/c25-15-7-8-16(18(27)10-15)23-22-19(11-21(32)30(23)13-14-4-3-9-28-12-14)29-31(24(22)33)20-6-2-1-5-17(20)26/h1-12,29H,13H2
InChIKey	IAXBXJCEGXCYBH-UHFFFAOYSA-N
XLogP	5.04
TPSA	72.68 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.31
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?

The IUPAC name of 4-(4-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 71557326) is 4-(4-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?

The canonical SMILES for 4-(4-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is O=c1c2c(-c3ccc(Cl)cc3F)n(Cc3cccnc3)c(=O)cc2[nH]n1-c1ccccc1Cl.

What is the InChIKey of 4-(4-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?

The InChIKey is IAXBXJCEGXCYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl2FN4O2/c25-15-7-8-16(18(27)10-15)23-22-19(11-21(32)30(23)13-14-4-3-9-28-12-14)29-31(24(22)33)20-6-2-1-5-17(20)26/h1-12,29H,13H2.

What are the key properties of 4-(4-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?

4-(4-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 481.31 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 71557326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).