1-(4-amino-2,6-dichlorophenyl)-4-[(3-fluorophenyl)methyl]pyrazolo[4,5-b]pyridin-5-one

C19H13Cl2FN4O — CID 170928968

IUPAC1-(4-amino-2,6-dichlorophenyl)-4-[(3-fluorophenyl)methyl]pyrazolo[4,5-b]pyridin-5-one
SMILESNc1cc(Cl)c(-n2ncc3c2ccc(=O)n3Cc2cccc(F)c2)c(Cl)c1
InChIInChI=1S/C19H13Cl2FN4O/c20-14-7-13(23)8-15(21)19(14)26-16-4-5-18(27)25(17(16)9-24-26)10-11-2-1-3-12(22)6-11/h1-9H,10,23H2
InChIKeyGYEFJRNZVJZLIH-UHFFFAOYSA-N
MW403.24 g/mol
LogP4.26
Rot. Bonds3

About 1-(4-amino-2,6-dichlorophenyl)-4-[(3-fluorophenyl)methyl]pyrazolo[4,5-b]pyridin-5-one

1-(4-amino-2,6-dichlorophenyl)-4-[(3-fluorophenyl)methyl]pyrazolo[4,5-b]pyridin-5-one (PubChem CID 170928968) has the molecular formula C19H13Cl2FN4O and a molecular weight of 403.24 g/mol. Its IUPAC name is 1-(4-amino-2,6-dichlorophenyl)-4-[(3-fluorophenyl)methyl]pyrazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name1-(4-amino-2,6-dichlorophenyl)-4-[(3-fluorophenyl)methyl]pyrazolo[4,5-b]pyridin-5-one
PubChem CID170928968
Molecular FormulaC19H13Cl2FN4O
Molecular Weight403.24 g/mol
Exact Mass402.05
IUPAC Name1-(4-amino-2,6-dichlorophenyl)-4-[(3-fluorophenyl)methyl]pyrazolo[4,5-b]pyridin-5-one
SMILESNc1cc(Cl)c(-n2ncc3c2ccc(=O)n3Cc2cccc(F)c2)c(Cl)c1
InChIInChI=1S/C19H13Cl2FN4O/c20-14-7-13(23)8-15(21)19(14)26-16-4-5-18(27)25(17(16)9-24-26)10-11-2-1-3-12(22)6-11/h1-9H,10,23H2
InChIKeyGYEFJRNZVJZLIH-UHFFFAOYSA-N
XLogP4.26
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.24
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2,6-dichlorophenyl)-4-[(3-fluorophenyl)methyl]pyrazolo[4,5-b]pyridin-5-one?
The IUPAC name of 1-(4-amino-2,6-dichlorophenyl)-4-[(3-fluorophenyl)methyl]pyrazolo[4,5-b]pyridin-5-one (CID 170928968) is 1-(4-amino-2,6-dichlorophenyl)-4-[(3-fluorophenyl)methyl]pyrazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for 1-(4-amino-2,6-dichlorophenyl)-4-[(3-fluorophenyl)methyl]pyrazolo[4,5-b]pyridin-5-one?
The canonical SMILES for 1-(4-amino-2,6-dichlorophenyl)-4-[(3-fluorophenyl)methyl]pyrazolo[4,5-b]pyridin-5-one is Nc1cc(Cl)c(-n2ncc3c2ccc(=O)n3Cc2cccc(F)c2)c(Cl)c1.
What is the InChIKey of 1-(4-amino-2,6-dichlorophenyl)-4-[(3-fluorophenyl)methyl]pyrazolo[4,5-b]pyridin-5-one?
The InChIKey is GYEFJRNZVJZLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2FN4O/c20-14-7-13(23)8-15(21)19(14)26-16-4-5-18(27)25(17(16)9-24-26)10-11-2-1-3-12(22)6-11/h1-9H,10,23H2.
What are the key properties of 1-(4-amino-2,6-dichlorophenyl)-4-[(3-fluorophenyl)methyl]pyrazolo[4,5-b]pyridin-5-one?
1-(4-amino-2,6-dichlorophenyl)-4-[(3-fluorophenyl)methyl]pyrazolo[4,5-b]pyridin-5-one has a molecular weight of 403.24 g/mol, XLogP of 4.26, 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-[(3-fluorophenyl)methyl]pyrazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 170928968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).