1-(4-amino-2,6-dichlorophenyl)-4-[(2,4-difluorophenyl)methyl]pyrazolo[4,5-b]pyridin-5-one

C19H12Cl2F2N4O — CID 170928925

IUPAC1-(4-amino-2,6-dichlorophenyl)-4-[(2,4-difluorophenyl)methyl]pyrazolo[4,5-b]pyridin-5-one
SMILESNc1cc(Cl)c(-n2ncc3c2ccc(=O)n3Cc2ccc(F)cc2F)c(Cl)c1
InChIInChI=1S/C19H12Cl2F2N4O/c20-13-6-12(24)7-14(21)19(13)27-16-3-4-18(28)26(17(16)8-25-27)9-10-1-2-11(22)5-15(10)23/h1-8H,9,24H2
InChIKeyCDMWSTMDAUEWCS-UHFFFAOYSA-N
MW421.23 g/mol
LogP4.40
Rot. Bonds3

About 1-(4-amino-2,6-dichlorophenyl)-4-[(2,4-difluorophenyl)methyl]pyrazolo[4,5-b]pyridin-5-one

1-(4-amino-2,6-dichlorophenyl)-4-[(2,4-difluorophenyl)methyl]pyrazolo[4,5-b]pyridin-5-one (PubChem CID 170928925) has the molecular formula C19H12Cl2F2N4O and a molecular weight of 421.23 g/mol. Its IUPAC name is 1-(4-amino-2,6-dichlorophenyl)-4-[(2,4-difluorophenyl)methyl]pyrazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name1-(4-amino-2,6-dichlorophenyl)-4-[(2,4-difluorophenyl)methyl]pyrazolo[4,5-b]pyridin-5-one
PubChem CID170928925
Molecular FormulaC19H12Cl2F2N4O
Molecular Weight421.23 g/mol
Exact Mass420.04
IUPAC Name1-(4-amino-2,6-dichlorophenyl)-4-[(2,4-difluorophenyl)methyl]pyrazolo[4,5-b]pyridin-5-one
SMILESNc1cc(Cl)c(-n2ncc3c2ccc(=O)n3Cc2ccc(F)cc2F)c(Cl)c1
InChIInChI=1S/C19H12Cl2F2N4O/c20-13-6-12(24)7-14(21)19(13)27-16-3-4-18(28)26(17(16)8-25-27)9-10-1-2-11(22)5-15(10)23/h1-8H,9,24H2
InChIKeyCDMWSTMDAUEWCS-UHFFFAOYSA-N
XLogP4.40
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.23
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(4-amino-2,6-dichlorophenyl)-4-[(2,4-difluorophenyl)methyl]pyrazolo[4,5-b]pyridin-5-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2,6-dichlorophenyl)-4-[(2,4-difluorophenyl)methyl]pyrazolo[4,5-b]pyridin-5-one?
The IUPAC name of 1-(4-amino-2,6-dichlorophenyl)-4-[(2,4-difluorophenyl)methyl]pyrazolo[4,5-b]pyridin-5-one (CID 170928925) is 1-(4-amino-2,6-dichlorophenyl)-4-[(2,4-difluorophenyl)methyl]pyrazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for 1-(4-amino-2,6-dichlorophenyl)-4-[(2,4-difluorophenyl)methyl]pyrazolo[4,5-b]pyridin-5-one?
The canonical SMILES for 1-(4-amino-2,6-dichlorophenyl)-4-[(2,4-difluorophenyl)methyl]pyrazolo[4,5-b]pyridin-5-one is Nc1cc(Cl)c(-n2ncc3c2ccc(=O)n3Cc2ccc(F)cc2F)c(Cl)c1.
What is the InChIKey of 1-(4-amino-2,6-dichlorophenyl)-4-[(2,4-difluorophenyl)methyl]pyrazolo[4,5-b]pyridin-5-one?
The InChIKey is CDMWSTMDAUEWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2F2N4O/c20-13-6-12(24)7-14(21)19(13)27-16-3-4-18(28)26(17(16)8-25-27)9-10-1-2-11(22)5-15(10)23/h1-8H,9,24H2.
What are the key properties of 1-(4-amino-2,6-dichlorophenyl)-4-[(2,4-difluorophenyl)methyl]pyrazolo[4,5-b]pyridin-5-one?
1-(4-amino-2,6-dichlorophenyl)-4-[(2,4-difluorophenyl)methyl]pyrazolo[4,5-b]pyridin-5-one has a molecular weight of 421.23 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2,6-dichlorophenyl)-4-[(2,4-difluorophenyl)methyl]pyrazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 170928925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).