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

C23H22Cl2N4O2 — CID 162129061

IUPAC1-(2-chlorophenyl)-4-(4-chlorophenyl)-5-[3-(dimethylamino)propyl]-2H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCN(C)CCCn1c(-c2ccc(Cl)cc2)c2c(=O)[nH]n(-c3ccccc3Cl)c2cc1=O
InChIInChI=1S/C23H22Cl2N4O2/c1-27(2)12-5-13-28-20(30)14-19-21(22(28)15-8-10-16(24)11-9-15)23(31)26-29(19)18-7-4-3-6-17(18)25/h3-4,6-11,14H,5,12-13H2,1-2H3,(H,26,31)
InChIKeyZIKRHWKVTIGOFG-UHFFFAOYSA-N
MW457.36 g/mol
LogP4.41
Rot. Bonds6

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

1-(2-chlorophenyl)-4-(4-chlorophenyl)-5-[3-(dimethylamino)propyl]-2H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 162129061) has the molecular formula C23H22Cl2N4O2 and a molecular weight of 457.36 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-(4-chlorophenyl)-5-[3-(dimethylamino)propyl]-2H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-(4-chlorophenyl)-5-[3-(dimethylamino)propyl]-2H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID162129061
Molecular FormulaC23H22Cl2N4O2
Molecular Weight457.36 g/mol
Exact Mass456.11
IUPAC Name1-(2-chlorophenyl)-4-(4-chlorophenyl)-5-[3-(dimethylamino)propyl]-2H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCN(C)CCCn1c(-c2ccc(Cl)cc2)c2c(=O)[nH]n(-c3ccccc3Cl)c2cc1=O
InChIInChI=1S/C23H22Cl2N4O2/c1-27(2)12-5-13-28-20(30)14-19-21(22(28)15-8-10-16(24)11-9-15)23(31)26-29(19)18-7-4-3-6-17(18)25/h3-4,6-11,14H,5,12-13H2,1-2H3,(H,26,31)
InChIKeyZIKRHWKVTIGOFG-UHFFFAOYSA-N
XLogP4.41
TPSA63.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.36
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-(4-chlorophenyl)-5-[3-(dimethylamino)propyl]-2H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 1-(2-chlorophenyl)-4-(4-chlorophenyl)-5-[3-(dimethylamino)propyl]-2H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 162129061) is 1-(2-chlorophenyl)-4-(4-chlorophenyl)-5-[3-(dimethylamino)propyl]-2H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 1-(2-chlorophenyl)-4-(4-chlorophenyl)-5-[3-(dimethylamino)propyl]-2H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 1-(2-chlorophenyl)-4-(4-chlorophenyl)-5-[3-(dimethylamino)propyl]-2H-pyrazolo[4,3-c]pyridine-3,6-dione is CN(C)CCCn1c(-c2ccc(Cl)cc2)c2c(=O)[nH]n(-c3ccccc3Cl)c2cc1=O.
What is the InChIKey of 1-(2-chlorophenyl)-4-(4-chlorophenyl)-5-[3-(dimethylamino)propyl]-2H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is ZIKRHWKVTIGOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N4O2/c1-27(2)12-5-13-28-20(30)14-19-21(22(28)15-8-10-16(24)11-9-15)23(31)26-29(19)18-7-4-3-6-17(18)25/h3-4,6-11,14H,5,12-13H2,1-2H3,(H,26,31).
What are the key properties of 1-(2-chlorophenyl)-4-(4-chlorophenyl)-5-[3-(dimethylamino)propyl]-2H-pyrazolo[4,3-c]pyridine-3,6-dione?
1-(2-chlorophenyl)-4-(4-chlorophenyl)-5-[3-(dimethylamino)propyl]-2H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 457.36 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-(4-chlorophenyl)-5-[3-(dimethylamino)propyl]-2H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 162129061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).