1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone

C₃₃H₃₉N₇O₂ — CID 148836695

About 1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone

1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone (PubChem CID 148836695) has the molecular formula C₃₃H₃₉N₇O₂ and a molecular weight of 565.72 g/mol. Its IUPAC name is 1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone
• PubChem CID: 148836695
• Molecular Formula: C₃₃H₃₉N₇O₂
• Molecular Weight: 565.72 g/mol
• Exact Mass: 565.32
• IUPAC Name: 1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone
• SMILES: CN1CCC2(CC1)CN(c1cc(C(=O)Cc3cc4cc(-c5cnn(C)c5CN5CCOCC5)ccc4cn3)ccn1)C2
• InChI: InChI=1S/C33H39N7O2/c1-37-9-6-33(7-10-37)22-40(23-33)32-17-25(5-8-34-32)31(41)18-28-16-27-15-24(3-4-26(27)19-35-28)29-20-36-38(2)30(29)21-39-11-13-42-14-12-39/h3-5,8,15-17,19-20H,6-7,9-14,18,21-23H2,1-2H3
• InChIKey: OUSNRRMXEZPUPF-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 79.62 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	565.72
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone?

The IUPAC name of 1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone (CID 148836695) is 1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone.

What is the SMILES notation for 1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone?

The canonical SMILES for 1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone is CN1CCC2(CC1)CN(c1cc(C(=O)Cc3cc4cc(-c5cnn(C)c5CN5CCOCC5)ccc4cn3)ccn1)C2.

What is the InChIKey of 1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone?

The InChIKey is OUSNRRMXEZPUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N7O2/c1-37-9-6-33(7-10-37)22-40(23-33)32-17-25(5-8-34-32)31(41)18-28-16-27-15-24(3-4-26(27)19-35-28)29-20-36-38(2)30(29)21-39-11-13-42-14-12-39/h3-5,8,15-17,19-20H,6-7,9-14,18,21-23H2,1-2H3.

What are the key properties of 1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone?

1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone has a molecular weight of 565.72 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone is sourced from PubChem (CID 148836695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 148836695 — identifiers, structure, computed properties (public domain)

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