3-[3-[4-(4-fluorophenyl)piperazin-1-yl]cyclobutyl]-1-[2-[(3E)-hexa-1,3,5-trien-3-yl]quinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine

C35H34FN7 — CID 89175649

About 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]cyclobutyl]-1-[2-[(3E)-hexa-1,3,5-trien-3-yl]quinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine

3-[3-[4-(4-fluorophenyl)piperazin-1-yl]cyclobutyl]-1-[2-[(3E)-hexa-1,3,5-trien-3-yl]quinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 89175649) has the molecular formula C35H34FN7 and a molecular weight of 571.70 g/mol. Its IUPAC name is 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]cyclobutyl]-1-[2-[(3E)-hexa-1,3,5-trien-3-yl]quinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

• Compound Name: 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]cyclobutyl]-1-[2-[(3E)-hexa-1,3,5-trien-3-yl]quinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine
• PubChem CID: 89175649
• Molecular Formula: C35H34FN7
• Molecular Weight: 571.70 g/mol
• Exact Mass: 571.29
• IUPAC Name: 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]cyclobutyl]-1-[2-[(3E)-hexa-1,3,5-trien-3-yl]quinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine
• SMILES: C=C/C=C(\C=C)c1ccc2ccc(-c3nc(C4CC(N5CCN(c6ccc(F)cc6)CC5)C4)n4ccnc(N)c34)cc2n1
• InChI: InChI=1S/C35H34FN7/c1-3-5-23(4-2)30-13-8-24-6-7-25(22-31(24)39-30)32-33-34(37)38-14-15-43(33)35(40-32)26-20-29(21-26)42-18-16-41(17-19-42)28-11-9-27(36)10-12-28/h3-15,22,26,29H,1-2,16-21H2,(H2,37,38)/b23-5+
• InChIKey: AZFNISBEYPQIHH-MUDSWDHVSA-N
• XLogP: 6.49
• TPSA: 75.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	571.70
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]cyclobutyl]-1-[2-[(3E)-hexa-1,3,5-trien-3-yl]quinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine?

The IUPAC name of 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]cyclobutyl]-1-[2-[(3E)-hexa-1,3,5-trien-3-yl]quinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine (CID 89175649) is 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]cyclobutyl]-1-[2-[(3E)-hexa-1,3,5-trien-3-yl]quinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine.

What is the SMILES notation for 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]cyclobutyl]-1-[2-[(3E)-hexa-1,3,5-trien-3-yl]quinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine?

The canonical SMILES for 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]cyclobutyl]-1-[2-[(3E)-hexa-1,3,5-trien-3-yl]quinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine is C=C/C=C(\C=C)c1ccc2ccc(-c3nc(C4CC(N5CCN(c6ccc(F)cc6)CC5)C4)n4ccnc(N)c34)cc2n1.

What is the InChIKey of 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]cyclobutyl]-1-[2-[(3E)-hexa-1,3,5-trien-3-yl]quinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine?

The InChIKey is AZFNISBEYPQIHH-MUDSWDHVSA-N. The full InChI is InChI=1S/C35H34FN7/c1-3-5-23(4-2)30-13-8-24-6-7-25(22-31(24)39-30)32-33-34(37)38-14-15-43(33)35(40-32)26-20-29(21-26)42-18-16-41(17-19-42)28-11-9-27(36)10-12-28/h3-15,22,26,29H,1-2,16-21H2,(H2,37,38)/b23-5+.

What are the key properties of 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]cyclobutyl]-1-[2-[(3E)-hexa-1,3,5-trien-3-yl]quinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine?

3-[3-[4-(4-fluorophenyl)piperazin-1-yl]cyclobutyl]-1-[2-[(3E)-hexa-1,3,5-trien-3-yl]quinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 571.70 g/mol, XLogP of 6.49, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]cyclobutyl]-1-[2-[(3E)-hexa-1,3,5-trien-3-yl]quinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 89175649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).