methyl 1H-pyrazolo[3,4-b]pyridine-4-carboxylate

C8H7N3O2 — CID 90014086

IUPACmethyl 1H-pyrazolo[3,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc2[nH]ncc12
InChIInChI=1S/C8H7N3O2/c1-13-8(12)5-2-3-9-7-6(5)4-10-11-7/h2-4H,1H3,(H,9,10,11)
InChIKeyVNALUAYRSSZMJO-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.74
Rot. Bonds1

About methyl 1H-pyrazolo[3,4-b]pyridine-4-carboxylate

methyl 1H-pyrazolo[3,4-b]pyridine-4-carboxylate (PubChem CID 90014086) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is methyl 1H-pyrazolo[3,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1H-pyrazolo[3,4-b]pyridine-4-carboxylate
PubChem CID90014086
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Namemethyl 1H-pyrazolo[3,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc2[nH]ncc12
InChIInChI=1S/C8H7N3O2/c1-13-8(12)5-2-3-9-7-6(5)4-10-11-7/h2-4H,1H3,(H,9,10,11)
InChIKeyVNALUAYRSSZMJO-UHFFFAOYSA-N
XLogP0.74
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1H-pyrazolo[3,4-b]pyridine-4-carboxylate?
The IUPAC name of methyl 1H-pyrazolo[3,4-b]pyridine-4-carboxylate (CID 90014086) is methyl 1H-pyrazolo[3,4-b]pyridine-4-carboxylate.
What is the SMILES notation for methyl 1H-pyrazolo[3,4-b]pyridine-4-carboxylate?
The canonical SMILES for methyl 1H-pyrazolo[3,4-b]pyridine-4-carboxylate is COC(=O)c1ccnc2[nH]ncc12.
What is the InChIKey of methyl 1H-pyrazolo[3,4-b]pyridine-4-carboxylate?
The InChIKey is VNALUAYRSSZMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-13-8(12)5-2-3-9-7-6(5)4-10-11-7/h2-4H,1H3,(H,9,10,11).
What are the key properties of methyl 1H-pyrazolo[3,4-b]pyridine-4-carboxylate?
methyl 1H-pyrazolo[3,4-b]pyridine-4-carboxylate has a molecular weight of 177.16 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1H-pyrazolo[3,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 90014086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).