5-(5-methoxy-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one

C20H20N6O2 — CID 168879029

About 5-(5-methoxy-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one

5-(5-methoxy-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one (PubChem CID 168879029) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 5-(5-methoxy-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

• Compound Name: 5-(5-methoxy-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
• PubChem CID: 168879029
• Molecular Formula: C20H20N6O2
• Molecular Weight: 376.42 g/mol
• Exact Mass: 376.16
• IUPAC Name: 5-(5-methoxy-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
• SMILES: COc1cncc(N2Cc3cn(-c4ccc(N5CCCC5)nc4)nc3C2=O)c1
• InChI: InChI=1S/C20H20N6O2/c1-28-17-8-16(9-21-11-17)25-12-14-13-26(23-19(14)20(25)27)15-4-5-18(22-10-15)24-6-2-3-7-24/h4-5,8-11,13H,2-3,6-7,12H2,1H3
• InChIKey: RNIZMZBGEGMNOZ-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 76.38 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.42
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one?

The IUPAC name of 5-(5-methoxy-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one (CID 168879029) is 5-(5-methoxy-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one.

What is the SMILES notation for 5-(5-methoxy-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one?

The canonical SMILES for 5-(5-methoxy-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one is COc1cncc(N2Cc3cn(-c4ccc(N5CCCC5)nc4)nc3C2=O)c1.

What is the InChIKey of 5-(5-methoxy-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one?

The InChIKey is RNIZMZBGEGMNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-28-17-8-16(9-21-11-17)25-12-14-13-26(23-19(14)20(25)27)15-4-5-18(22-10-15)24-6-2-3-7-24/h4-5,8-11,13H,2-3,6-7,12H2,1H3.

What are the key properties of 5-(5-methoxy-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one?

5-(5-methoxy-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 376.42 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-methoxy-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 168879029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).