8-cyclobutyloxy-5-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)-6-(oxan-4-yl)pyrazolo[4,3-g]isoquinoline

C30H34N4O3 — CID 156879528

About 8-cyclobutyloxy-5-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)-6-(oxan-4-yl)pyrazolo[4,3-g]isoquinoline

8-cyclobutyloxy-5-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)-6-(oxan-4-yl)pyrazolo[4,3-g]isoquinoline (PubChem CID 156879528) has the molecular formula C30H34N4O3 and a molecular weight of 498.63 g/mol. Its IUPAC name is 8-cyclobutyloxy-5-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)-6-(oxan-4-yl)pyrazolo[4,3-g]isoquinoline.

Molecular Properties

• Compound Name: 8-cyclobutyloxy-5-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)-6-(oxan-4-yl)pyrazolo[4,3-g]isoquinoline
• PubChem CID: 156879528
• Molecular Formula: C30H34N4O3
• Molecular Weight: 498.63 g/mol
• Exact Mass: 498.26
• IUPAC Name: 8-cyclobutyloxy-5-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)-6-(oxan-4-yl)pyrazolo[4,3-g]isoquinoline
• SMILES: Cc1cc(-c2c(C3CCOCC3)nc(OC3CCC3)c3cc4c(cnn4C4CCCCO4)cc23)ccn1
• InChI: InChI=1S/C30H34N4O3/c1-19-15-21(8-11-31-19)28-24-16-22-18-32-34(27-7-2-3-12-36-27)26(22)17-25(24)30(37-23-5-4-6-23)33-29(28)20-9-13-35-14-10-20/h8,11,15-18,20,23,27H,2-7,9-10,12-14H2,1H3
• InChIKey: FAXPPQVGVJUXPH-UHFFFAOYSA-N
• XLogP: 6.48
• TPSA: 71.29 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.63
LogP ≤ 5	6.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-cyclobutyloxy-5-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)-6-(oxan-4-yl)pyrazolo[4,3-g]isoquinoline?

The IUPAC name of 8-cyclobutyloxy-5-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)-6-(oxan-4-yl)pyrazolo[4,3-g]isoquinoline (CID 156879528) is 8-cyclobutyloxy-5-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)-6-(oxan-4-yl)pyrazolo[4,3-g]isoquinoline.

What is the SMILES notation for 8-cyclobutyloxy-5-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)-6-(oxan-4-yl)pyrazolo[4,3-g]isoquinoline?

The canonical SMILES for 8-cyclobutyloxy-5-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)-6-(oxan-4-yl)pyrazolo[4,3-g]isoquinoline is Cc1cc(-c2c(C3CCOCC3)nc(OC3CCC3)c3cc4c(cnn4C4CCCCO4)cc23)ccn1.

What is the InChIKey of 8-cyclobutyloxy-5-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)-6-(oxan-4-yl)pyrazolo[4,3-g]isoquinoline?

The InChIKey is FAXPPQVGVJUXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O3/c1-19-15-21(8-11-31-19)28-24-16-22-18-32-34(27-7-2-3-12-36-27)26(22)17-25(24)30(37-23-5-4-6-23)33-29(28)20-9-13-35-14-10-20/h8,11,15-18,20,23,27H,2-7,9-10,12-14H2,1H3.

What are the key properties of 8-cyclobutyloxy-5-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)-6-(oxan-4-yl)pyrazolo[4,3-g]isoquinoline?

8-cyclobutyloxy-5-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)-6-(oxan-4-yl)pyrazolo[4,3-g]isoquinoline has a molecular weight of 498.63 g/mol, XLogP of 6.48, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-cyclobutyloxy-5-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)-6-(oxan-4-yl)pyrazolo[4,3-g]isoquinoline is sourced from PubChem (CID 156879528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).