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

C25H19Cl2N5O3 — CID 58358057

IUPAC2-(2-chlorophenyl)-4-[(2-chlorophenyl)methoxymethyl]-5-(pyrazin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESO=c1c2c(COCc3ccccc3Cl)n(Cc3cnccn3)c(=O)cc2[nH]n1-c1ccccc1Cl
InChIInChI=1S/C25H19Cl2N5O3/c26-18-6-2-1-5-16(18)14-35-15-22-24-20(11-23(33)31(22)13-17-12-28-9-10-29-17)30-32(25(24)34)21-8-4-3-7-19(21)27/h1-12,30H,13-15H2
InChIKeyVEJYRLZGHNZLBY-UHFFFAOYSA-N
MW508.37 g/mol
LogP4.34
Rot. Bonds7

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

2-(2-chlorophenyl)-4-[(2-chlorophenyl)methoxymethyl]-5-(pyrazin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 58358057) has the molecular formula C25H19Cl2N5O3 and a molecular weight of 508.37 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-[(2-chlorophenyl)methoxymethyl]-5-(pyrazin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-[(2-chlorophenyl)methoxymethyl]-5-(pyrazin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID58358057
Molecular FormulaC25H19Cl2N5O3
Molecular Weight508.37 g/mol
Exact Mass507.09
IUPAC Name2-(2-chlorophenyl)-4-[(2-chlorophenyl)methoxymethyl]-5-(pyrazin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESO=c1c2c(COCc3ccccc3Cl)n(Cc3cnccn3)c(=O)cc2[nH]n1-c1ccccc1Cl
InChIInChI=1S/C25H19Cl2N5O3/c26-18-6-2-1-5-16(18)14-35-15-22-24-20(11-23(33)31(22)13-17-12-28-9-10-29-17)30-32(25(24)34)21-8-4-3-7-19(21)27/h1-12,30H,13-15H2
InChIKeyVEJYRLZGHNZLBY-UHFFFAOYSA-N
XLogP4.34
TPSA94.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.37
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[(2-chlorophenyl)methoxymethyl]-5-(pyrazin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 2-(2-chlorophenyl)-4-[(2-chlorophenyl)methoxymethyl]-5-(pyrazin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 58358057) is 2-(2-chlorophenyl)-4-[(2-chlorophenyl)methoxymethyl]-5-(pyrazin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 2-(2-chlorophenyl)-4-[(2-chlorophenyl)methoxymethyl]-5-(pyrazin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 2-(2-chlorophenyl)-4-[(2-chlorophenyl)methoxymethyl]-5-(pyrazin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is O=c1c2c(COCc3ccccc3Cl)n(Cc3cnccn3)c(=O)cc2[nH]n1-c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-4-[(2-chlorophenyl)methoxymethyl]-5-(pyrazin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is VEJYRLZGHNZLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2N5O3/c26-18-6-2-1-5-16(18)14-35-15-22-24-20(11-23(33)31(22)13-17-12-28-9-10-29-17)30-32(25(24)34)21-8-4-3-7-19(21)27/h1-12,30H,13-15H2.
What are the key properties of 2-(2-chlorophenyl)-4-[(2-chlorophenyl)methoxymethyl]-5-(pyrazin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
2-(2-chlorophenyl)-4-[(2-chlorophenyl)methoxymethyl]-5-(pyrazin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 508.37 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-[(2-chlorophenyl)methoxymethyl]-5-(pyrazin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 58358057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).