2,4-dimethyl-6-(1-phenylpyrazol-4-yl)pyrazolo[3,4-b]pyridine

C17H15N5 — CID 169415294

IUPAC2,4-dimethyl-6-(1-phenylpyrazol-4-yl)pyrazolo[3,4-b]pyridine
SMILESCc1cc(-c2cnn(-c3ccccc3)c2)nc2nn(C)cc12
InChIInChI=1S/C17H15N5/c1-12-8-16(19-17-15(12)11-21(2)20-17)13-9-18-22(10-13)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyINHBFRAPWATWJL-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.13
Rot. Bonds2

About 2,4-dimethyl-6-(1-phenylpyrazol-4-yl)pyrazolo[3,4-b]pyridine

2,4-dimethyl-6-(1-phenylpyrazol-4-yl)pyrazolo[3,4-b]pyridine (PubChem CID 169415294) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2,4-dimethyl-6-(1-phenylpyrazol-4-yl)pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name2,4-dimethyl-6-(1-phenylpyrazol-4-yl)pyrazolo[3,4-b]pyridine
PubChem CID169415294
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name2,4-dimethyl-6-(1-phenylpyrazol-4-yl)pyrazolo[3,4-b]pyridine
SMILESCc1cc(-c2cnn(-c3ccccc3)c2)nc2nn(C)cc12
InChIInChI=1S/C17H15N5/c1-12-8-16(19-17-15(12)11-21(2)20-17)13-9-18-22(10-13)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyINHBFRAPWATWJL-UHFFFAOYSA-N
XLogP3.13
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(1-phenylpyrazol-4-yl)pyrazolo[3,4-b]pyridine?
The IUPAC name of 2,4-dimethyl-6-(1-phenylpyrazol-4-yl)pyrazolo[3,4-b]pyridine (CID 169415294) is 2,4-dimethyl-6-(1-phenylpyrazol-4-yl)pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 2,4-dimethyl-6-(1-phenylpyrazol-4-yl)pyrazolo[3,4-b]pyridine?
The canonical SMILES for 2,4-dimethyl-6-(1-phenylpyrazol-4-yl)pyrazolo[3,4-b]pyridine is Cc1cc(-c2cnn(-c3ccccc3)c2)nc2nn(C)cc12.
What is the InChIKey of 2,4-dimethyl-6-(1-phenylpyrazol-4-yl)pyrazolo[3,4-b]pyridine?
The InChIKey is INHBFRAPWATWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c1-12-8-16(19-17-15(12)11-21(2)20-17)13-9-18-22(10-13)14-6-4-3-5-7-14/h3-11H,1-2H3.
What are the key properties of 2,4-dimethyl-6-(1-phenylpyrazol-4-yl)pyrazolo[3,4-b]pyridine?
2,4-dimethyl-6-(1-phenylpyrazol-4-yl)pyrazolo[3,4-b]pyridine has a molecular weight of 289.34 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(1-phenylpyrazol-4-yl)pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 169415294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).