3-(1-methylpyrrolidin-3-yl)-2H-pyrazolo[3,4-b]pyridine

C11H14N4 — CID 118747425

IUPAC3-(1-methylpyrrolidin-3-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESCN1CCC(c2[nH]nc3ncccc23)C1
InChIInChI=1S/C11H14N4/c1-15-6-4-8(7-15)10-9-3-2-5-12-11(9)14-13-10/h2-3,5,8H,4,6-7H2,1H3,(H,12,13,14)
InChIKeyWTYKKUDZSCNUPW-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.38
Rot. Bonds1

About 3-(1-methylpyrrolidin-3-yl)-2H-pyrazolo[3,4-b]pyridine

3-(1-methylpyrrolidin-3-yl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 118747425) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-(1-methylpyrrolidin-3-yl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-(1-methylpyrrolidin-3-yl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID118747425
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name3-(1-methylpyrrolidin-3-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESCN1CCC(c2[nH]nc3ncccc23)C1
InChIInChI=1S/C11H14N4/c1-15-6-4-8(7-15)10-9-3-2-5-12-11(9)14-13-10/h2-3,5,8H,4,6-7H2,1H3,(H,12,13,14)
InChIKeyWTYKKUDZSCNUPW-UHFFFAOYSA-N
XLogP1.38
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrolidin-3-yl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-(1-methylpyrrolidin-3-yl)-2H-pyrazolo[3,4-b]pyridine (CID 118747425) is 3-(1-methylpyrrolidin-3-yl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-(1-methylpyrrolidin-3-yl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-(1-methylpyrrolidin-3-yl)-2H-pyrazolo[3,4-b]pyridine is CN1CCC(c2[nH]nc3ncccc23)C1.
What is the InChIKey of 3-(1-methylpyrrolidin-3-yl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is WTYKKUDZSCNUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-15-6-4-8(7-15)10-9-3-2-5-12-11(9)14-13-10/h2-3,5,8H,4,6-7H2,1H3,(H,12,13,14).
What are the key properties of 3-(1-methylpyrrolidin-3-yl)-2H-pyrazolo[3,4-b]pyridine?
3-(1-methylpyrrolidin-3-yl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 202.26 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrolidin-3-yl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 118747425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).