1-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methylquinolin-7-yl]-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine

C33H40N6 — CID 130348839

About 1-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methylquinolin-7-yl]-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine

1-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methylquinolin-7-yl]-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 130348839) has the molecular formula C33H40N6 and a molecular weight of 520.73 g/mol. Its IUPAC name is 1-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methylquinolin-7-yl]-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

• Compound Name: 1-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methylquinolin-7-yl]-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine
• PubChem CID: 130348839
• Molecular Formula: C33H40N6
• Molecular Weight: 520.73 g/mol
• Exact Mass: 520.33
• IUPAC Name: 1-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methylquinolin-7-yl]-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine
• SMILES: C/C=C\C(=C/C)c1cc(C)c2ccc(-c3nc(C4CCC(CN5CCCC5)CC4)n4ccnc(N)c34)cc2n1
• InChI: InChI=1S/C33H40N6/c1-4-8-24(5-2)28-19-22(3)27-14-13-26(20-29(27)36-28)30-31-32(34)35-15-18-39(31)33(37-30)25-11-9-23(10-12-25)21-38-16-6-7-17-38/h4-5,8,13-15,18-20,23,25H,6-7,9-12,16-17,21H2,1-3H3,(H2,34,35)/b8-4-,24-5+
• InChIKey: AWILXWSBZGLOKA-VPQQXXCGSA-N
• XLogP: 7.18
• TPSA: 72.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.73
LogP ≤ 5	7.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methylquinolin-7-yl]-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine?

The IUPAC name of 1-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methylquinolin-7-yl]-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine (CID 130348839) is 1-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methylquinolin-7-yl]-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine.

What is the SMILES notation for 1-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methylquinolin-7-yl]-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine?

The canonical SMILES for 1-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methylquinolin-7-yl]-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine is C/C=C\C(=C/C)c1cc(C)c2ccc(-c3nc(C4CCC(CN5CCCC5)CC4)n4ccnc(N)c34)cc2n1.

What is the InChIKey of 1-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methylquinolin-7-yl]-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine?

The InChIKey is AWILXWSBZGLOKA-VPQQXXCGSA-N. The full InChI is InChI=1S/C33H40N6/c1-4-8-24(5-2)28-19-22(3)27-14-13-26(20-29(27)36-28)30-31-32(34)35-15-18-39(31)33(37-30)25-11-9-23(10-12-25)21-38-16-6-7-17-38/h4-5,8,13-15,18-20,23,25H,6-7,9-12,16-17,21H2,1-3H3,(H2,34,35)/b8-4-,24-5+.

What are the key properties of 1-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methylquinolin-7-yl]-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine?

1-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methylquinolin-7-yl]-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 520.73 g/mol, XLogP of 7.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methylquinolin-7-yl]-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 130348839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).