3-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]propanamide;hydrochloride

C16H24ClN5O2 — CID 118741926

IUPAC3-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]propanamide;hydrochloride
SMILESCOCCC(=O)NCCn1nc(C2CCNC2)c2cccnc21.Cl
InChIInChI=1S/C16H23N5O2.ClH/c1-23-10-5-14(22)18-8-9-21-16-13(3-2-6-19-16)15(20-21)12-4-7-17-11-12;/h2-3,6,12,17H,4-5,7-11H2,1H3,(H,18,22);1H
InChIKeyHJSDILDDPMJJGG-UHFFFAOYSA-N
MW353.85 g/mol
LogP1.08
Rot. Bonds7

About 3-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]propanamide;hydrochloride

3-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]propanamide;hydrochloride (PubChem CID 118741926) has the molecular formula C16H24ClN5O2 and a molecular weight of 353.85 g/mol. Its IUPAC name is 3-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]propanamide;hydrochloride
PubChem CID118741926
Molecular FormulaC16H24ClN5O2
Molecular Weight353.85 g/mol
Exact Mass353.16
IUPAC Name3-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]propanamide;hydrochloride
SMILESCOCCC(=O)NCCn1nc(C2CCNC2)c2cccnc21.Cl
InChIInChI=1S/C16H23N5O2.ClH/c1-23-10-5-14(22)18-8-9-21-16-13(3-2-6-19-16)15(20-21)12-4-7-17-11-12;/h2-3,6,12,17H,4-5,7-11H2,1H3,(H,18,22);1H
InChIKeyHJSDILDDPMJJGG-UHFFFAOYSA-N
XLogP1.08
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]propanamide;hydrochloride?
The IUPAC name of 3-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]propanamide;hydrochloride (CID 118741926) is 3-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]propanamide;hydrochloride.
What is the SMILES notation for 3-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]propanamide;hydrochloride?
The canonical SMILES for 3-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]propanamide;hydrochloride is COCCC(=O)NCCn1nc(C2CCNC2)c2cccnc21.Cl.
What is the InChIKey of 3-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]propanamide;hydrochloride?
The InChIKey is HJSDILDDPMJJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2.ClH/c1-23-10-5-14(22)18-8-9-21-16-13(3-2-6-19-16)15(20-21)12-4-7-17-11-12;/h2-3,6,12,17H,4-5,7-11H2,1H3,(H,18,22);1H.
What are the key properties of 3-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]propanamide;hydrochloride?
3-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]propanamide;hydrochloride has a molecular weight of 353.85 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 118741926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).