4-(4-chlorophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide

C15H13ClN4O2 — CID 2821100

IUPAC4-(4-chlorophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(N)=O)c(Oc3ccc(Cl)cc3)c12
InChIInChI=1S/C15H13ClN4O2/c1-8-12-13(22-10-5-3-9(16)4-6-10)11(14(17)21)7-18-15(12)20(2)19-8/h3-7H,1-2H3,(H2,17,21)
InChIKeySJZZXLIAMAIGRA-UHFFFAOYSA-N
MW316.75 g/mol
LogP2.82
Rot. Bonds3

About 4-(4-chlorophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide

4-(4-chlorophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 2821100) has the molecular formula C15H13ClN4O2 and a molecular weight of 316.75 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID2821100
Molecular FormulaC15H13ClN4O2
Molecular Weight316.75 g/mol
Exact Mass316.07
IUPAC Name4-(4-chlorophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(N)=O)c(Oc3ccc(Cl)cc3)c12
InChIInChI=1S/C15H13ClN4O2/c1-8-12-13(22-10-5-3-9(16)4-6-10)11(14(17)21)7-18-15(12)20(2)19-8/h3-7H,1-2H3,(H2,17,21)
InChIKeySJZZXLIAMAIGRA-UHFFFAOYSA-N
XLogP2.82
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-(4-chlorophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 2821100) is 4-(4-chlorophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-(4-chlorophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-(4-chlorophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nn(C)c2ncc(C(N)=O)c(Oc3ccc(Cl)cc3)c12.
What is the InChIKey of 4-(4-chlorophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is SJZZXLIAMAIGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2/c1-8-12-13(22-10-5-3-9(16)4-6-10)11(14(17)21)7-18-15(12)20(2)19-8/h3-7H,1-2H3,(H2,17,21).
What are the key properties of 4-(4-chlorophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
4-(4-chlorophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 316.75 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 2821100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).