2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione

C20H14Cl2FN3O3 — CID 58358031

IUPAC2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCn1c(COc2ccc(F)cc2)c2c(=O)n(-c3cc(Cl)ccc3Cl)[nH]c2cc1=O
InChIInChI=1S/C20H14Cl2FN3O3/c1-25-17(10-29-13-5-3-12(23)4-6-13)19-15(9-18(25)27)24-26(20(19)28)16-8-11(21)2-7-14(16)22/h2-9,24H,10H2,1H3
InChIKeyHODXRQUEUJSFJO-UHFFFAOYSA-N
MW434.25 g/mol
LogP4.04
Rot. Bonds4

About 2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione

2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 58358031) has the molecular formula C20H14Cl2FN3O3 and a molecular weight of 434.25 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID58358031
Molecular FormulaC20H14Cl2FN3O3
Molecular Weight434.25 g/mol
Exact Mass433.04
IUPAC Name2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCn1c(COc2ccc(F)cc2)c2c(=O)n(-c3cc(Cl)ccc3Cl)[nH]c2cc1=O
InChIInChI=1S/C20H14Cl2FN3O3/c1-25-17(10-29-13-5-3-12(23)4-6-13)19-15(9-18(25)27)24-26(20(19)28)16-8-11(21)2-7-14(16)22/h2-9,24H,10H2,1H3
InChIKeyHODXRQUEUJSFJO-UHFFFAOYSA-N
XLogP4.04
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.25
LogP ≤ 54.04
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-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 58358031) is 2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione is Cn1c(COc2ccc(F)cc2)c2c(=O)n(-c3cc(Cl)ccc3Cl)[nH]c2cc1=O.
What is the InChIKey of 2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is HODXRQUEUJSFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2FN3O3/c1-25-17(10-29-13-5-3-12(23)4-6-13)19-15(9-18(25)27)24-26(20(19)28)16-8-11(21)2-7-14(16)22/h2-9,24H,10H2,1H3.
What are the key properties of 2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 434.25 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 58358031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).