methyl 4-amino-1,6-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate

C10H12N4O2 — CID 127243781

IUPACmethyl 4-amino-1,6-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCOC(=O)c1c(C)nc2c(cnn2C)c1N
InChIInChI=1S/C10H12N4O2/c1-5-7(10(15)16-3)8(11)6-4-12-14(2)9(6)13-5/h4H,1-3H3,(H2,11,13)
InChIKeyQNRXCSKTIGLZPV-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.65
Rot. Bonds1

About methyl 4-amino-1,6-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate

methyl 4-amino-1,6-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 127243781) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is methyl 4-amino-1,6-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1,6-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID127243781
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Namemethyl 4-amino-1,6-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCOC(=O)c1c(C)nc2c(cnn2C)c1N
InChIInChI=1S/C10H12N4O2/c1-5-7(10(15)16-3)8(11)6-4-12-14(2)9(6)13-5/h4H,1-3H3,(H2,11,13)
InChIKeyQNRXCSKTIGLZPV-UHFFFAOYSA-N
XLogP0.65
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1,6-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of methyl 4-amino-1,6-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 127243781) is methyl 4-amino-1,6-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 4-amino-1,6-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 4-amino-1,6-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate is COC(=O)c1c(C)nc2c(cnn2C)c1N.
What is the InChIKey of methyl 4-amino-1,6-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is QNRXCSKTIGLZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-5-7(10(15)16-3)8(11)6-4-12-14(2)9(6)13-5/h4H,1-3H3,(H2,11,13).
What are the key properties of methyl 4-amino-1,6-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate?
methyl 4-amino-1,6-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 220.23 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1,6-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 127243781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).