4-chloro-1-(4-fluorophenyl)-N-(4-hydroxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide

C20H14ClFN4O2 — CID 7626858

IUPAC4-chloro-1-(4-fluorophenyl)-N-(4-hydroxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c2ncc(C(=O)Nc3ccc(O)cc3)c(Cl)c12
InChIInChI=1S/C20H14ClFN4O2/c1-11-17-18(21)16(20(28)24-13-4-8-15(27)9-5-13)10-23-19(17)26(25-11)14-6-2-12(22)3-7-14/h2-10,27H,1H3,(H,24,28)
InChIKeyDSRPDZMZZIJQDQ-UHFFFAOYSA-N
MW396.81 g/mol
LogP4.48
Rot. Bonds3

About 4-chloro-1-(4-fluorophenyl)-N-(4-hydroxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide

4-chloro-1-(4-fluorophenyl)-N-(4-hydroxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 7626858) has the molecular formula C20H14ClFN4O2 and a molecular weight of 396.81 g/mol. Its IUPAC name is 4-chloro-1-(4-fluorophenyl)-N-(4-hydroxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-(4-fluorophenyl)-N-(4-hydroxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID7626858
Molecular FormulaC20H14ClFN4O2
Molecular Weight396.81 g/mol
Exact Mass396.08
IUPAC Name4-chloro-1-(4-fluorophenyl)-N-(4-hydroxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c2ncc(C(=O)Nc3ccc(O)cc3)c(Cl)c12
InChIInChI=1S/C20H14ClFN4O2/c1-11-17-18(21)16(20(28)24-13-4-8-15(27)9-5-13)10-23-19(17)26(25-11)14-6-2-12(22)3-7-14/h2-10,27H,1H3,(H,24,28)
InChIKeyDSRPDZMZZIJQDQ-UHFFFAOYSA-N
XLogP4.48
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.81
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-chloro-1-(4-fluorophenyl)-N-(4-hydroxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide 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 4-chloro-1-(4-fluorophenyl)-N-(4-hydroxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-1-(4-fluorophenyl)-N-(4-hydroxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 7626858) is 4-chloro-1-(4-fluorophenyl)-N-(4-hydroxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-1-(4-fluorophenyl)-N-(4-hydroxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-1-(4-fluorophenyl)-N-(4-hydroxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nn(-c2ccc(F)cc2)c2ncc(C(=O)Nc3ccc(O)cc3)c(Cl)c12.
What is the InChIKey of 4-chloro-1-(4-fluorophenyl)-N-(4-hydroxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is DSRPDZMZZIJQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4O2/c1-11-17-18(21)16(20(28)24-13-4-8-15(27)9-5-13)10-23-19(17)26(25-11)14-6-2-12(22)3-7-14/h2-10,27H,1H3,(H,24,28).
What are the key properties of 4-chloro-1-(4-fluorophenyl)-N-(4-hydroxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
4-chloro-1-(4-fluorophenyl)-N-(4-hydroxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 396.81 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-fluorophenyl)-N-(4-hydroxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 7626858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).