1-(1H-indol-2-yl)-3-[1-[(2-methylcyclohexa-2,5-dien-1-yl)methyl]piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine

C27H30N6 — CID 143469524

About 1-(1H-indol-2-yl)-3-[1-[(2-methylcyclohexa-2,5-dien-1-yl)methyl]piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine

1-(1H-indol-2-yl)-3-[1-[(2-methylcyclohexa-2,5-dien-1-yl)methyl]piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 143469524) has the molecular formula C27H30N6 and a molecular weight of 438.58 g/mol. Its IUPAC name is 1-(1H-indol-2-yl)-3-[1-[(2-methylcyclohexa-2,5-dien-1-yl)methyl]piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

• Compound Name: 1-(1H-indol-2-yl)-3-[1-[(2-methylcyclohexa-2,5-dien-1-yl)methyl]piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine
• PubChem CID: 143469524
• Molecular Formula: C27H30N6
• Molecular Weight: 438.58 g/mol
• Exact Mass: 438.25
• IUPAC Name: 1-(1H-indol-2-yl)-3-[1-[(2-methylcyclohexa-2,5-dien-1-yl)methyl]piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine
• SMILES: CC1=CCC=CC1CN1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1
• InChI: InChI=1S/C27H30N6/c1-18-6-2-3-8-21(18)17-32-13-10-19(11-14-32)27-31-24(25-26(28)29-12-15-33(25)27)23-16-20-7-4-5-9-22(20)30-23/h3-9,12,15-16,19,21,30H,2,10-11,13-14,17H2,1H3,(H2,28,29)
• InChIKey: JJQVJGHMVQZGOY-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 75.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.58
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-2-yl)-3-[1-[(2-methylcyclohexa-2,5-dien-1-yl)methyl]piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine?

The IUPAC name of 1-(1H-indol-2-yl)-3-[1-[(2-methylcyclohexa-2,5-dien-1-yl)methyl]piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine (CID 143469524) is 1-(1H-indol-2-yl)-3-[1-[(2-methylcyclohexa-2,5-dien-1-yl)methyl]piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine.

What is the SMILES notation for 1-(1H-indol-2-yl)-3-[1-[(2-methylcyclohexa-2,5-dien-1-yl)methyl]piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine?

The canonical SMILES for 1-(1H-indol-2-yl)-3-[1-[(2-methylcyclohexa-2,5-dien-1-yl)methyl]piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine is CC1=CCC=CC1CN1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.

What is the InChIKey of 1-(1H-indol-2-yl)-3-[1-[(2-methylcyclohexa-2,5-dien-1-yl)methyl]piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine?

The InChIKey is JJQVJGHMVQZGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6/c1-18-6-2-3-8-21(18)17-32-13-10-19(11-14-32)27-31-24(25-26(28)29-12-15-33(25)27)23-16-20-7-4-5-9-22(20)30-23/h3-9,12,15-16,19,21,30H,2,10-11,13-14,17H2,1H3,(H2,28,29).

What are the key properties of 1-(1H-indol-2-yl)-3-[1-[(2-methylcyclohexa-2,5-dien-1-yl)methyl]piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine?

1-(1H-indol-2-yl)-3-[1-[(2-methylcyclohexa-2,5-dien-1-yl)methyl]piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 438.58 g/mol, XLogP of 5.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1H-indol-2-yl)-3-[1-[(2-methylcyclohexa-2,5-dien-1-yl)methyl]piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 143469524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).