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

C24H16Cl2N4O2 — CID 71557497

IUPAC2-(2-chlorophenyl)-4-(4-chlorophenyl)-5-(pyridin-4-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESO=c1c2c(-c3ccc(Cl)cc3)n(Cc3ccncc3)c(=O)cc2[nH]n1-c1ccccc1Cl
InChIInChI=1S/C24H16Cl2N4O2/c25-17-7-5-16(6-8-17)23-22-19(13-21(31)29(23)14-15-9-11-27-12-10-15)28-30(24(22)32)20-4-2-1-3-18(20)26/h1-13,28H,14H2
InChIKeyLCMCTMYZWXHHDK-UHFFFAOYSA-N
MW463.32 g/mol
LogP4.90
Rot. Bonds4

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

2-(2-chlorophenyl)-4-(4-chlorophenyl)-5-(pyridin-4-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 71557497) has the molecular formula C24H16Cl2N4O2 and a molecular weight of 463.32 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-(4-chlorophenyl)-5-(pyridin-4-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-(4-chlorophenyl)-5-(pyridin-4-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID71557497
Molecular FormulaC24H16Cl2N4O2
Molecular Weight463.32 g/mol
Exact Mass462.07
IUPAC Name2-(2-chlorophenyl)-4-(4-chlorophenyl)-5-(pyridin-4-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESO=c1c2c(-c3ccc(Cl)cc3)n(Cc3ccncc3)c(=O)cc2[nH]n1-c1ccccc1Cl
InChIInChI=1S/C24H16Cl2N4O2/c25-17-7-5-16(6-8-17)23-22-19(13-21(31)29(23)14-15-9-11-27-12-10-15)28-30(24(22)32)20-4-2-1-3-18(20)26/h1-13,28H,14H2
InChIKeyLCMCTMYZWXHHDK-UHFFFAOYSA-N
XLogP4.90
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.32
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-(4-chlorophenyl)-5-(pyridin-4-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 2-(2-chlorophenyl)-4-(4-chlorophenyl)-5-(pyridin-4-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 71557497) is 2-(2-chlorophenyl)-4-(4-chlorophenyl)-5-(pyridin-4-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 2-(2-chlorophenyl)-4-(4-chlorophenyl)-5-(pyridin-4-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 2-(2-chlorophenyl)-4-(4-chlorophenyl)-5-(pyridin-4-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is O=c1c2c(-c3ccc(Cl)cc3)n(Cc3ccncc3)c(=O)cc2[nH]n1-c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-4-(4-chlorophenyl)-5-(pyridin-4-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is LCMCTMYZWXHHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2N4O2/c25-17-7-5-16(6-8-17)23-22-19(13-21(31)29(23)14-15-9-11-27-12-10-15)28-30(24(22)32)20-4-2-1-3-18(20)26/h1-13,28H,14H2.
What are the key properties of 2-(2-chlorophenyl)-4-(4-chlorophenyl)-5-(pyridin-4-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
2-(2-chlorophenyl)-4-(4-chlorophenyl)-5-(pyridin-4-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 463.32 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-(4-chlorophenyl)-5-(pyridin-4-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 71557497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).