1-[3-[3-[6-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-pyridinyl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C34H38N6O2 — CID 177123578

About 1-[3-[3-[6-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-pyridinyl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[3-[3-[6-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-pyridinyl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 177123578) has the molecular formula C34H38N6O2 and a molecular weight of 562.72 g/mol. Its IUPAC name is 1-[3-[3-[6-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-pyridinyl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 1-[3-[3-[6-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-pyridinyl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• PubChem CID: 177123578
• Molecular Formula: C34H38N6O2
• Molecular Weight: 562.72 g/mol
• Exact Mass: 562.31
• IUPAC Name: 1-[3-[3-[6-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-pyridinyl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• SMILES: CC(=O)N1CCc2c(c(-c3cccc4cc(-c5ccc(CC6CC7(CNC7)C6)nc5)ncc34)nn2C2CCOCC2)C1
• InChI: InChI=1S/C34H38N6O2/c1-22(41)39-10-7-32-30(19-39)33(38-40(32)27-8-11-42-12-9-27)28-4-2-3-24-14-31(37-18-29(24)28)25-5-6-26(36-17-25)13-23-15-34(16-23)20-35-21-34/h2-6,14,17-18,23,27,35H,7-13,15-16,19-21H2,1H3
• InChIKey: YMCQPILVWMTNSN-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 85.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.72
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[6-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-pyridinyl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The IUPAC name of 1-[3-[3-[6-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-pyridinyl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 177123578) is 1-[3-[3-[6-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-pyridinyl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

What is the SMILES notation for 1-[3-[3-[6-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-pyridinyl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The canonical SMILES for 1-[3-[3-[6-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-pyridinyl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(-c3cccc4cc(-c5ccc(CC6CC7(CNC7)C6)nc5)ncc34)nn2C2CCOCC2)C1.

What is the InChIKey of 1-[3-[3-[6-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-pyridinyl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The InChIKey is YMCQPILVWMTNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N6O2/c1-22(41)39-10-7-32-30(19-39)33(38-40(32)27-8-11-42-12-9-27)28-4-2-3-24-14-31(37-18-29(24)28)25-5-6-26(36-17-25)13-23-15-34(16-23)20-35-21-34/h2-6,14,17-18,23,27,35H,7-13,15-16,19-21H2,1H3.

What are the key properties of 1-[3-[3-[6-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-pyridinyl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

1-[3-[3-[6-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-pyridinyl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 562.72 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[3-[6-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-pyridinyl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 177123578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).