[3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone

C20H23N5O2 — CID 110242194

About [3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone

[3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 110242194) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is [3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

• Compound Name: [3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
• PubChem CID: 110242194
• Molecular Formula: C20H23N5O2
• Molecular Weight: 365.44 g/mol
• Exact Mass: 365.19
• IUPAC Name: [3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
• SMILES: COc1ccccc1C(=O)N1CCC(c2nn(CCN)c3ncccc23)C1
• InChI: InChI=1S/C20H23N5O2/c1-27-17-7-3-2-5-15(17)20(26)24-11-8-14(13-24)18-16-6-4-10-22-19(16)25(23-18)12-9-21/h2-7,10,14H,8-9,11-13,21H2,1H3
• InChIKey: LKOTZOBFIBXPGX-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 86.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.44
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone?

The IUPAC name of [3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone (CID 110242194) is [3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone.

What is the SMILES notation for [3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone?

The canonical SMILES for [3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CCC(c2nn(CCN)c3ncccc23)C1.

What is the InChIKey of [3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone?

The InChIKey is LKOTZOBFIBXPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-27-17-7-3-2-5-15(17)20(26)24-11-8-14(13-24)18-16-6-4-10-22-19(16)25(23-18)12-9-21/h2-7,10,14H,8-9,11-13,21H2,1H3.

What are the key properties of [3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone?

[3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 365.44 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 110242194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).