1-(2-cyclohexa-1,5-dien-1-ylquinolin-7-yl)-3-[3-(4-pyrimidin-2-yloxypiperidin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine

C34H34N8O — CID 143120600

About 1-(2-cyclohexa-1,5-dien-1-ylquinolin-7-yl)-3-[3-(4-pyrimidin-2-yloxypiperidin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine

1-(2-cyclohexa-1,5-dien-1-ylquinolin-7-yl)-3-[3-(4-pyrimidin-2-yloxypiperidin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 143120600) has the molecular formula C34H34N8O and a molecular weight of 570.70 g/mol. Its IUPAC name is 1-(2-cyclohexa-1,5-dien-1-ylquinolin-7-yl)-3-[3-(4-pyrimidin-2-yloxypiperidin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

• Compound Name: 1-(2-cyclohexa-1,5-dien-1-ylquinolin-7-yl)-3-[3-(4-pyrimidin-2-yloxypiperidin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
• PubChem CID: 143120600
• Molecular Formula: C34H34N8O
• Molecular Weight: 570.70 g/mol
• Exact Mass: 570.29
• IUPAC Name: 1-(2-cyclohexa-1,5-dien-1-ylquinolin-7-yl)-3-[3-(4-pyrimidin-2-yloxypiperidin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
• SMILES: Nc1nccn2c(C3CC(N4CCC(Oc5ncccn5)CC4)C3)nc(-c3ccc4ccc(C5=CCCC=C5)nc4c3)c12
• InChI: InChI=1S/C34H34N8O/c35-32-31-30(24-8-7-23-9-10-28(39-29(23)21-24)22-5-2-1-3-6-22)40-33(42(31)18-15-36-32)25-19-26(20-25)41-16-11-27(12-17-41)43-34-37-13-4-14-38-34/h2,4-10,13-15,18,21,25-27H,1,3,11-12,16-17,19-20H2,(H2,35,36)
• InChIKey: VGXLCOQNNASGDV-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 107.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.70
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexa-1,5-dien-1-ylquinolin-7-yl)-3-[3-(4-pyrimidin-2-yloxypiperidin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine?

The IUPAC name of 1-(2-cyclohexa-1,5-dien-1-ylquinolin-7-yl)-3-[3-(4-pyrimidin-2-yloxypiperidin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine (CID 143120600) is 1-(2-cyclohexa-1,5-dien-1-ylquinolin-7-yl)-3-[3-(4-pyrimidin-2-yloxypiperidin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine.

What is the SMILES notation for 1-(2-cyclohexa-1,5-dien-1-ylquinolin-7-yl)-3-[3-(4-pyrimidin-2-yloxypiperidin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine?

The canonical SMILES for 1-(2-cyclohexa-1,5-dien-1-ylquinolin-7-yl)-3-[3-(4-pyrimidin-2-yloxypiperidin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine is Nc1nccn2c(C3CC(N4CCC(Oc5ncccn5)CC4)C3)nc(-c3ccc4ccc(C5=CCCC=C5)nc4c3)c12.

What is the InChIKey of 1-(2-cyclohexa-1,5-dien-1-ylquinolin-7-yl)-3-[3-(4-pyrimidin-2-yloxypiperidin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine?

The InChIKey is VGXLCOQNNASGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N8O/c35-32-31-30(24-8-7-23-9-10-28(39-29(23)21-24)22-5-2-1-3-6-22)40-33(42(31)18-15-36-32)25-19-26(20-25)41-16-11-27(12-17-41)43-34-37-13-4-14-38-34/h2,4-10,13-15,18,21,25-27H,1,3,11-12,16-17,19-20H2,(H2,35,36).

What are the key properties of 1-(2-cyclohexa-1,5-dien-1-ylquinolin-7-yl)-3-[3-(4-pyrimidin-2-yloxypiperidin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine?

1-(2-cyclohexa-1,5-dien-1-ylquinolin-7-yl)-3-[3-(4-pyrimidin-2-yloxypiperidin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 570.70 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-cyclohexa-1,5-dien-1-ylquinolin-7-yl)-3-[3-(4-pyrimidin-2-yloxypiperidin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 143120600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).