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

C25H18Cl2N4O3 — CID 58358197

IUPAC4-[(4-chlorophenoxy)methyl]-2-(2-chlorophenyl)-5-(pyridin-4-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESO=c1c2c(COc3ccc(Cl)cc3)n(Cc3ccncc3)c(=O)cc2[nH]n1-c1ccccc1Cl
InChIInChI=1S/C25H18Cl2N4O3/c26-17-5-7-18(8-6-17)34-15-22-24-20(13-23(32)30(22)14-16-9-11-28-12-10-16)29-31(25(24)33)21-4-2-1-3-19(21)27/h1-13,29H,14-15H2
InChIKeyIHJYJLKIBIZRRV-UHFFFAOYSA-N
MW493.35 g/mol
LogP4.81
Rot. Bonds6

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

4-[(4-chlorophenoxy)methyl]-2-(2-chlorophenyl)-5-(pyridin-4-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 58358197) has the molecular formula C25H18Cl2N4O3 and a molecular weight of 493.35 g/mol. Its IUPAC name is 4-[(4-chlorophenoxy)methyl]-2-(2-chlorophenyl)-5-(pyridin-4-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name4-[(4-chlorophenoxy)methyl]-2-(2-chlorophenyl)-5-(pyridin-4-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID58358197
Molecular FormulaC25H18Cl2N4O3
Molecular Weight493.35 g/mol
Exact Mass492.08
IUPAC Name4-[(4-chlorophenoxy)methyl]-2-(2-chlorophenyl)-5-(pyridin-4-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESO=c1c2c(COc3ccc(Cl)cc3)n(Cc3ccncc3)c(=O)cc2[nH]n1-c1ccccc1Cl
InChIInChI=1S/C25H18Cl2N4O3/c26-17-5-7-18(8-6-17)34-15-22-24-20(13-23(32)30(22)14-16-9-11-28-12-10-16)29-31(25(24)33)21-4-2-1-3-19(21)27/h1-13,29H,14-15H2
InChIKeyIHJYJLKIBIZRRV-UHFFFAOYSA-N
XLogP4.81
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.35
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 4-[(4-chlorophenoxy)methyl]-2-(2-chlorophenyl)-5-(pyridin-4-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 4-[(4-chlorophenoxy)methyl]-2-(2-chlorophenyl)-5-(pyridin-4-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 58358197) is 4-[(4-chlorophenoxy)methyl]-2-(2-chlorophenyl)-5-(pyridin-4-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 4-[(4-chlorophenoxy)methyl]-2-(2-chlorophenyl)-5-(pyridin-4-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 4-[(4-chlorophenoxy)methyl]-2-(2-chlorophenyl)-5-(pyridin-4-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is O=c1c2c(COc3ccc(Cl)cc3)n(Cc3ccncc3)c(=O)cc2[nH]n1-c1ccccc1Cl.
What is the InChIKey of 4-[(4-chlorophenoxy)methyl]-2-(2-chlorophenyl)-5-(pyridin-4-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is IHJYJLKIBIZRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2N4O3/c26-17-5-7-18(8-6-17)34-15-22-24-20(13-23(32)30(22)14-16-9-11-28-12-10-16)29-31(25(24)33)21-4-2-1-3-19(21)27/h1-13,29H,14-15H2.
What are the key properties of 4-[(4-chlorophenoxy)methyl]-2-(2-chlorophenyl)-5-(pyridin-4-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
4-[(4-chlorophenoxy)methyl]-2-(2-chlorophenyl)-5-(pyridin-4-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 493.35 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenoxy)methyl]-2-(2-chlorophenyl)-5-(pyridin-4-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 58358197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).