2-(2-Chlorophenyl)-4-(2-fluorophenyl)-5-methyl-1h-pyrazolo[4,3-c]pyridine-3,6(2h,5h)-dione

C19H13ClFN3O2 — CID 49836516

IUPAC2-(2-chlorophenyl)-4-(2-fluorophenyl)-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCN1C(=O)C=C2C(=C1C3=CC=CC=C3F)C(=O)N(N2)C4=CC=CC=C4Cl
InChIInChI=1S/C19H13ClFN3O2/c1-23-16(25)10-14-17(18(23)11-6-2-4-8-13(11)21)19(26)24(22-14)15-9-5-3-7-12(15)20/h2-10,22H,1H3
InChIKeyKJQWOWLDTVSADY-UHFFFAOYSA-N
MW369.80 g/mol
LogP3.20
Rot. Bonds2

About 2-(2-Chlorophenyl)-4-(2-fluorophenyl)-5-methyl-1h-pyrazolo[4,3-c]pyridine-3,6(2h,5h)-dione

2-(2-Chlorophenyl)-4-(2-fluorophenyl)-5-methyl-1h-pyrazolo[4,3-c]pyridine-3,6(2h,5h)-dione (PubChem CID 49836516) has the molecular formula C19H13ClFN3O2 and a molecular weight of 369.80 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-(2-fluorophenyl)-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name2-(2-Chlorophenyl)-4-(2-fluorophenyl)-5-methyl-1h-pyrazolo[4,3-c]pyridine-3,6(2h,5h)-dione
PubChem CID49836516
Molecular FormulaC19H13ClFN3O2
Molecular Weight369.80 g/mol
Exact Mass369.07
IUPAC Name2-(2-chlorophenyl)-4-(2-fluorophenyl)-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCN1C(=O)C=C2C(=C1C3=CC=CC=C3F)C(=O)N(N2)C4=CC=CC=C4Cl
InChIInChI=1S/C19H13ClFN3O2/c1-23-16(25)10-14-17(18(23)11-6-2-4-8-13(11)21)19(26)24(22-14)15-9-5-3-7-12(15)20/h2-10,22H,1H3
InChIKeyKJQWOWLDTVSADY-UHFFFAOYSA-N
XLogP3.20
TPSA52.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity692

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.80
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

Analyze 2-(2-Chlorophenyl)-4-(2-fluorophenyl)-5-methyl-1h-pyrazolo[4,3-c]pyridine-3,6(2h,5h)-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chlorophenyl)-4-(3-(dimethylamino)phenyl)-5-methyl-1H-pyrazolo(4,3-C)pyridine-3,6(2H,5H)-dione
CID 58496428
5-benzyl-2-(4-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione
CID 5306234
4-((benzyl(methyl)amino)methyl)-2-(2-chloro-4-fluorophenyl)-5-(3-methoxypropyl)-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione
CID 49836290
2-(2-Chlorophenyl)-4,5-dimethyl-1h-pyrazolo[4,3-c]pyridine-3,6(2h,5h)-dione
CID 49837572
2-(2-Chloro-4-fluorophenyl)-4,5-dimethyl-1h-pyrazolo[4,3-c]pyridine-3,6(2h,5h)-dione
CID 49837577
2-(3-Chlorophenyl)-4,5-dimethyl-1h-pyrazolo[4,3-c]pyridine-3,6(2h,5h)-dione
CID 49837682
2-(2-Chlorophenyl)-5-(cyclohexylmethyl)-4-methyl-1h-pyrazolo[4,3-c]pyridine-3,6(2h,5h)-dione
CID 49837684
2-(2-Chlorophenyl)-5-(3-hydroxypropyl)-4-methyl-1h-pyrazolo[4,3-c]pyridine-3,6(2h,5h)-dione
CID 49837685
2-(2-chlorophenyl)-5-(2-(dimethylamino)ethyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione
CID 49837686
2-(2-chlorophenyl)-4-methyl-5-(4-(4-methylpiperazin-1-yl)-4-oxobutyl)-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione
CID 49837687
2-(2-chlorophenyl)-4-methyl-5-(3-phenylprop-2-ynyl)-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione
CID 49837783
2-(2-chlorophenyl)-4-methyl-5-(4-((4-methylpiperazin-1-yl)methyl)benzyl)-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione
CID 49837785

Frequently Asked Questions

What is the IUPAC name of 2-(2-Chlorophenyl)-4-(2-fluorophenyl)-5-methyl-1h-pyrazolo[4,3-c]pyridine-3,6(2h,5h)-dione?
The IUPAC name of 2-(2-Chlorophenyl)-4-(2-fluorophenyl)-5-methyl-1h-pyrazolo[4,3-c]pyridine-3,6(2h,5h)-dione (CID 49836516) is 2-(2-chlorophenyl)-4-(2-fluorophenyl)-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 2-(2-Chlorophenyl)-4-(2-fluorophenyl)-5-methyl-1h-pyrazolo[4,3-c]pyridine-3,6(2h,5h)-dione?
The canonical SMILES for 2-(2-Chlorophenyl)-4-(2-fluorophenyl)-5-methyl-1h-pyrazolo[4,3-c]pyridine-3,6(2h,5h)-dione is CN1C(=O)C=C2C(=C1C3=CC=CC=C3F)C(=O)N(N2)C4=CC=CC=C4Cl.
What is the InChIKey of 2-(2-Chlorophenyl)-4-(2-fluorophenyl)-5-methyl-1h-pyrazolo[4,3-c]pyridine-3,6(2h,5h)-dione?
The InChIKey is KJQWOWLDTVSADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3O2/c1-23-16(25)10-14-17(18(23)11-6-2-4-8-13(11)21)19(26)24(22-14)15-9-5-3-7-12(15)20/h2-10,22H,1H3.
What are the key properties of 2-(2-Chlorophenyl)-4-(2-fluorophenyl)-5-methyl-1h-pyrazolo[4,3-c]pyridine-3,6(2h,5h)-dione?
2-(2-Chlorophenyl)-4-(2-fluorophenyl)-5-methyl-1h-pyrazolo[4,3-c]pyridine-3,6(2h,5h)-dione has a molecular weight of 369.80 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-Chlorophenyl)-4-(2-fluorophenyl)-5-methyl-1h-pyrazolo[4,3-c]pyridine-3,6(2h,5h)-dione is sourced from PubChem (CID 49836516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).