2-(2-ethylpiperidin-1-yl)-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]acetamide

C21H32N6O — CID 110242101

IUPAC2-(2-ethylpiperidin-1-yl)-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]acetamide
SMILESCCC1CCCCN1CC(=O)NCCn1nc(C2CCNC2)c2cccnc21
InChIInChI=1S/C21H32N6O/c1-2-17-6-3-4-12-26(17)15-19(28)23-11-13-27-21-18(7-5-9-24-21)20(25-27)16-8-10-22-14-16/h5,7,9,16-17,22H,2-4,6,8,10-15H2,1H3,(H,23,28)
InChIKeyYOADQRPZWSYJTC-UHFFFAOYSA-N
MW384.53 g/mol
LogP1.89
Rot. Bonds7

About 2-(2-ethylpiperidin-1-yl)-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]acetamide

2-(2-ethylpiperidin-1-yl)-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]acetamide (PubChem CID 110242101) has the molecular formula C21H32N6O and a molecular weight of 384.53 g/mol. Its IUPAC name is 2-(2-ethylpiperidin-1-yl)-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-ethylpiperidin-1-yl)-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]acetamide
PubChem CID110242101
Molecular FormulaC21H32N6O
Molecular Weight384.53 g/mol
Exact Mass384.26
IUPAC Name2-(2-ethylpiperidin-1-yl)-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]acetamide
SMILESCCC1CCCCN1CC(=O)NCCn1nc(C2CCNC2)c2cccnc21
InChIInChI=1S/C21H32N6O/c1-2-17-6-3-4-12-26(17)15-19(28)23-11-13-27-21-18(7-5-9-24-21)20(25-27)16-8-10-22-14-16/h5,7,9,16-17,22H,2-4,6,8,10-15H2,1H3,(H,23,28)
InChIKeyYOADQRPZWSYJTC-UHFFFAOYSA-N
XLogP1.89
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2-ethylpiperidin-1-yl)-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-(dimethylamino)phenyl]-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
CID 92607118
2-(2-methoxyphenyl)-N-[2-[3-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
CID 92601567
3-(4-methoxyphenyl)-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]propanamide
CID 92595651
2-(2-methoxy-5-methylphenyl)-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]acetamide
CID 110242113
2-cyclohexyl-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide
CID 92577975
N-[2-[3-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
CID 92550481
3,3-dimethyl-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]butanamide
CID 92552232
N-[2-[3-[(3R)-1-acetylpyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclohexanecarboxamide
CID 92548855
N-[2-[3-[(3R)-1-acetylpyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]-3-cyclopentylpropanamide
CID 92548871
2,6-dimethoxy-N-[2-[3-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]benzamide
CID 92600515
N-[2-[3-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
CID 110242203
N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide
CID 95099407

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperidin-1-yl)-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(2-ethylpiperidin-1-yl)-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]acetamide (CID 110242101) is 2-(2-ethylpiperidin-1-yl)-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-ethylpiperidin-1-yl)-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-ethylpiperidin-1-yl)-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]acetamide is CCC1CCCCN1CC(=O)NCCn1nc(C2CCNC2)c2cccnc21.
What is the InChIKey of 2-(2-ethylpiperidin-1-yl)-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]acetamide?
The InChIKey is YOADQRPZWSYJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O/c1-2-17-6-3-4-12-26(17)15-19(28)23-11-13-27-21-18(7-5-9-24-21)20(25-27)16-8-10-22-14-16/h5,7,9,16-17,22H,2-4,6,8,10-15H2,1H3,(H,23,28).
What are the key properties of 2-(2-ethylpiperidin-1-yl)-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]acetamide?
2-(2-ethylpiperidin-1-yl)-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]acetamide has a molecular weight of 384.53 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpiperidin-1-yl)-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]acetamide is sourced from PubChem (CID 110242101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).