methyl 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate

C16H15N3O2 — CID 17025734

IUPACmethyl 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc2c1c(C)nn2-c1ccccc1
InChIInChI=1S/C16H15N3O2/c1-10-9-13(16(20)21-3)14-11(2)18-19(15(14)17-10)12-7-5-4-6-8-12/h4-9H,1-3H3
InChIKeyQJQMDWMUJAWJQP-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.82
Rot. Bonds2

About methyl 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate

methyl 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate (PubChem CID 17025734) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate
PubChem CID17025734
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Namemethyl 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc2c1c(C)nn2-c1ccccc1
InChIInChI=1S/C16H15N3O2/c1-10-9-13(16(20)21-3)14-11(2)18-19(15(14)17-10)12-7-5-4-6-8-12/h4-9H,1-3H3
InChIKeyQJQMDWMUJAWJQP-UHFFFAOYSA-N
XLogP2.82
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate?
The IUPAC name of methyl 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate (CID 17025734) is methyl 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate?
The canonical SMILES for methyl 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate is COC(=O)c1cc(C)nc2c1c(C)nn2-c1ccccc1.
What is the InChIKey of methyl 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate?
The InChIKey is QJQMDWMUJAWJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10-9-13(16(20)21-3)14-11(2)18-19(15(14)17-10)12-7-5-4-6-8-12/h4-9H,1-3H3.
What are the key properties of methyl 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate?
methyl 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 17025734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).