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

C15H12ClFN4O — CID 122457894

IUPAC4-chloro-N-(4-fluorophenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)Nc3ccc(F)cc3)c(Cl)c12
InChIInChI=1S/C15H12ClFN4O/c1-8-12-13(16)11(7-18-14(12)21(2)20-8)15(22)19-10-5-3-9(17)4-6-10/h3-7H,1-2H3,(H,19,22)
InChIKeyYVJZXSXOUUKTHK-UHFFFAOYSA-N
MW318.74 g/mol
LogP3.32
Rot. Bonds2

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

4-chloro-N-(4-fluorophenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 122457894) has the molecular formula C15H12ClFN4O and a molecular weight of 318.74 g/mol. Its IUPAC name is 4-chloro-N-(4-fluorophenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-fluorophenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID122457894
Molecular FormulaC15H12ClFN4O
Molecular Weight318.74 g/mol
Exact Mass318.07
IUPAC Name4-chloro-N-(4-fluorophenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)Nc3ccc(F)cc3)c(Cl)c12
InChIInChI=1S/C15H12ClFN4O/c1-8-12-13(16)11(7-18-14(12)21(2)20-8)15(22)19-10-5-3-9(17)4-6-10/h3-7H,1-2H3,(H,19,22)
InChIKeyYVJZXSXOUUKTHK-UHFFFAOYSA-N
XLogP3.32
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.74
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-fluorophenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-N-(4-fluorophenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 122457894) is 4-chloro-N-(4-fluorophenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-fluorophenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-N-(4-fluorophenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nn(C)c2ncc(C(=O)Nc3ccc(F)cc3)c(Cl)c12.
What is the InChIKey of 4-chloro-N-(4-fluorophenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is YVJZXSXOUUKTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN4O/c1-8-12-13(16)11(7-18-14(12)21(2)20-8)15(22)19-10-5-3-9(17)4-6-10/h3-7H,1-2H3,(H,19,22).
What are the key properties of 4-chloro-N-(4-fluorophenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
4-chloro-N-(4-fluorophenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 318.74 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-fluorophenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 122457894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).