2,6-dimethoxy-N-[2-[3-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]benzamide

C20H24N6O3 — CID 92600515

About 2,6-dimethoxy-N-[2-[3-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]benzamide

2,6-dimethoxy-N-[2-[3-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]benzamide (PubChem CID 92600515) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[2-[3-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 2,6-dimethoxy-N-[2-[3-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]benzamide
• PubChem CID: 92600515
• Molecular Formula: C20H24N6O3
• Molecular Weight: 396.45 g/mol
• Exact Mass: 396.19
• IUPAC Name: 2,6-dimethoxy-N-[2-[3-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]benzamide
• SMILES: COc1cccc(OC)c1C(=O)NCCn1nc([C@@H]2CCNC2)c2nccnc21
• InChI: InChI=1S/C20H24N6O3/c1-28-14-4-3-5-15(29-2)16(14)20(27)24-10-11-26-19-18(22-8-9-23-19)17(25-26)13-6-7-21-12-13/h3-5,8-9,13,21H,6-7,10-12H2,1-2H3,(H,24,27)/t13-/m1/s1
• InChIKey: LUFBDLURXSHQKR-CYBMUJFWSA-N
• XLogP: 1.35
• TPSA: 103.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.45
LogP ≤ 5	1.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[2-[3-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]benzamide?

The IUPAC name of 2,6-dimethoxy-N-[2-[3-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]benzamide (CID 92600515) is 2,6-dimethoxy-N-[2-[3-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]benzamide.

What is the SMILES notation for 2,6-dimethoxy-N-[2-[3-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]benzamide?

The canonical SMILES for 2,6-dimethoxy-N-[2-[3-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]benzamide is COc1cccc(OC)c1C(=O)NCCn1nc([C@@H]2CCNC2)c2nccnc21.

What is the InChIKey of 2,6-dimethoxy-N-[2-[3-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]benzamide?

The InChIKey is LUFBDLURXSHQKR-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-28-14-4-3-5-15(29-2)16(14)20(27)24-10-11-26-19-18(22-8-9-23-19)17(25-26)13-6-7-21-12-13/h3-5,8-9,13,21H,6-7,10-12H2,1-2H3,(H,24,27)/t13-/m1/s1.

What are the key properties of 2,6-dimethoxy-N-[2-[3-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]benzamide?

2,6-dimethoxy-N-[2-[3-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]benzamide has a molecular weight of 396.45 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dimethoxy-N-[2-[3-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 92600515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).