1-[1-[3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one

C21H30N6O2 — CID 110242149

About 1-[1-[3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one

1-[1-[3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one (PubChem CID 110242149) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-[1-[3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[1-[3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one
• PubChem CID: 110242149
• Molecular Formula: C21H30N6O2
• Molecular Weight: 398.51 g/mol
• Exact Mass: 398.24
• IUPAC Name: 1-[1-[3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one
• SMILES: CC(C(=O)N1CCC(c2nn(CCN(C)C)c3ncccc23)C1)N1CCCC1=O
• InChI: InChI=1S/C21H30N6O2/c1-15(26-10-5-7-18(26)28)21(29)25-11-8-16(14-25)19-17-6-4-9-22-20(17)27(23-19)13-12-24(2)3/h4,6,9,15-16H,5,7-8,10-14H2,1-3H3
• InChIKey: GRCVEONNVOVGTJ-UHFFFAOYSA-N
• XLogP: 1.32
• TPSA: 74.57 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.51
LogP ≤ 5	1.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one?

The IUPAC name of 1-[1-[3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one (CID 110242149) is 1-[1-[3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one.

What is the SMILES notation for 1-[1-[3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one?

The canonical SMILES for 1-[1-[3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one is CC(C(=O)N1CCC(c2nn(CCN(C)C)c3ncccc23)C1)N1CCCC1=O.

What is the InChIKey of 1-[1-[3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one?

The InChIKey is GRCVEONNVOVGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-15(26-10-5-7-18(26)28)21(29)25-11-8-16(14-25)19-17-6-4-9-22-20(17)27(23-19)13-12-24(2)3/h4,6,9,15-16H,5,7-8,10-14H2,1-3H3.

What are the key properties of 1-[1-[3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one?

1-[1-[3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one has a molecular weight of 398.51 g/mol, XLogP of 1.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 110242149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).