2-(2-chlorophenyl)-5-methyl-4-(naphthalen-1-yloxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione

C24H18ClN3O3 — CID 58358159

IUPAC2-(2-chlorophenyl)-5-methyl-4-(naphthalen-1-yloxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCn1c(COc2cccc3ccccc23)c2c(=O)n(-c3ccccc3Cl)[nH]c2cc1=O
InChIInChI=1S/C24H18ClN3O3/c1-27-20(14-31-21-12-6-8-15-7-2-3-9-16(15)21)23-18(13-22(27)29)26-28(24(23)30)19-11-5-4-10-17(19)25/h2-13,26H,14H2,1H3
InChIKeyWDKHEFAIQXURCH-UHFFFAOYSA-N
MW431.88 g/mol
LogP4.40
Rot. Bonds4

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

2-(2-chlorophenyl)-5-methyl-4-(naphthalen-1-yloxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 58358159) has the molecular formula C24H18ClN3O3 and a molecular weight of 431.88 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-methyl-4-(naphthalen-1-yloxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-methyl-4-(naphthalen-1-yloxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID58358159
Molecular FormulaC24H18ClN3O3
Molecular Weight431.88 g/mol
Exact Mass431.10
IUPAC Name2-(2-chlorophenyl)-5-methyl-4-(naphthalen-1-yloxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCn1c(COc2cccc3ccccc23)c2c(=O)n(-c3ccccc3Cl)[nH]c2cc1=O
InChIInChI=1S/C24H18ClN3O3/c1-27-20(14-31-21-12-6-8-15-7-2-3-9-16(15)21)23-18(13-22(27)29)26-28(24(23)30)19-11-5-4-10-17(19)25/h2-13,26H,14H2,1H3
InChIKeyWDKHEFAIQXURCH-UHFFFAOYSA-N
XLogP4.40
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.88
LogP ≤ 54.40
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)-5-methyl-4-(naphthalen-1-yloxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 2-(2-chlorophenyl)-5-methyl-4-(naphthalen-1-yloxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 58358159) is 2-(2-chlorophenyl)-5-methyl-4-(naphthalen-1-yloxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 2-(2-chlorophenyl)-5-methyl-4-(naphthalen-1-yloxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 2-(2-chlorophenyl)-5-methyl-4-(naphthalen-1-yloxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is Cn1c(COc2cccc3ccccc23)c2c(=O)n(-c3ccccc3Cl)[nH]c2cc1=O.
What is the InChIKey of 2-(2-chlorophenyl)-5-methyl-4-(naphthalen-1-yloxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is WDKHEFAIQXURCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O3/c1-27-20(14-31-21-12-6-8-15-7-2-3-9-16(15)21)23-18(13-22(27)29)26-28(24(23)30)19-11-5-4-10-17(19)25/h2-13,26H,14H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-5-methyl-4-(naphthalen-1-yloxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
2-(2-chlorophenyl)-5-methyl-4-(naphthalen-1-yloxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 431.88 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-methyl-4-(naphthalen-1-yloxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 58358159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).