Skip to content

[1-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone

C17H23N5O — CID 128850011

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[1-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nn(C)c2nccc(N3CCC(C(=O)N4CCCC4)C3)c12
InChIInChI=1S/C17H23N5O/c1-12-15-14(5-7-18-16(15)20(2)19-12)22-10-6-13(11-22)17(23)21-8-3-4-9-21/h5,7,13H,3-4,6,8-11H2,1-2H3
InChIKeyYDHLVOJYXSZAAF-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.73
Rot. Bonds2

About [1-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone

[1-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 128850011) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is [1-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID128850011
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name[1-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nn(C)c2nccc(N3CCC(C(=O)N4CCCC4)C3)c12
InChIInChI=1S/C17H23N5O/c1-12-15-14(5-7-18-16(15)20(2)19-12)22-10-6-13(11-22)17(23)21-8-3-4-9-21/h5,7,13H,3-4,6,8-11H2,1-2H3
InChIKeyYDHLVOJYXSZAAF-UHFFFAOYSA-N
XLogP1.73
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone 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 [1-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone (CID 128850011) is [1-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone is Cc1nn(C)c2nccc(N3CCC(C(=O)N4CCCC4)C3)c12.
What is the InChIKey of [1-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is YDHLVOJYXSZAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-12-15-14(5-7-18-16(15)20(2)19-12)22-10-6-13(11-22)17(23)21-8-3-4-9-21/h5,7,13H,3-4,6,8-11H2,1-2H3.
What are the key properties of [1-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone?
[1-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 313.41 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 128850011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.