3-(4-methylcyclohexyl)-1-[5-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrrol-2-yl]imidazo[1,5-a]pyrazin-8-amine

C23H29N5 — CID 143469204

About 3-(4-methylcyclohexyl)-1-[5-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrrol-2-yl]imidazo[1,5-a]pyrazin-8-amine

3-(4-methylcyclohexyl)-1-[5-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrrol-2-yl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 143469204) has the molecular formula C23H29N5 and a molecular weight of 375.52 g/mol. Its IUPAC name is 3-(4-methylcyclohexyl)-1-[5-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrrol-2-yl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

• Compound Name: 3-(4-methylcyclohexyl)-1-[5-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrrol-2-yl]imidazo[1,5-a]pyrazin-8-amine
• PubChem CID: 143469204
• Molecular Formula: C23H29N5
• Molecular Weight: 375.52 g/mol
• Exact Mass: 375.24
• IUPAC Name: 3-(4-methylcyclohexyl)-1-[5-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrrol-2-yl]imidazo[1,5-a]pyrazin-8-amine
• SMILES: C/C=C\C=C/c1cc(-c2nc(C3CCC(C)CC3)n3ccnc(N)c23)[nH]c1C
• InChI: InChI=1S/C23H29N5/c1-4-5-6-7-18-14-19(26-16(18)3)20-21-22(24)25-12-13-28(21)23(27-20)17-10-8-15(2)9-11-17/h4-7,12-15,17,26H,8-11H2,1-3H3,(H2,24,25)/b5-4-,7-6-
• InChIKey: XKTMRYXRQKRVLD-RZSVFLSASA-N
• XLogP: 5.50
• TPSA: 72.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	375.52
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylcyclohexyl)-1-[5-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrrol-2-yl]imidazo[1,5-a]pyrazin-8-amine?

The IUPAC name of 3-(4-methylcyclohexyl)-1-[5-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrrol-2-yl]imidazo[1,5-a]pyrazin-8-amine (CID 143469204) is 3-(4-methylcyclohexyl)-1-[5-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrrol-2-yl]imidazo[1,5-a]pyrazin-8-amine.

What is the SMILES notation for 3-(4-methylcyclohexyl)-1-[5-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrrol-2-yl]imidazo[1,5-a]pyrazin-8-amine?

The canonical SMILES for 3-(4-methylcyclohexyl)-1-[5-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrrol-2-yl]imidazo[1,5-a]pyrazin-8-amine is C/C=C\C=C/c1cc(-c2nc(C3CCC(C)CC3)n3ccnc(N)c23)[nH]c1C.

What is the InChIKey of 3-(4-methylcyclohexyl)-1-[5-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrrol-2-yl]imidazo[1,5-a]pyrazin-8-amine?

The InChIKey is XKTMRYXRQKRVLD-RZSVFLSASA-N. The full InChI is InChI=1S/C23H29N5/c1-4-5-6-7-18-14-19(26-16(18)3)20-21-22(24)25-12-13-28(21)23(27-20)17-10-8-15(2)9-11-17/h4-7,12-15,17,26H,8-11H2,1-3H3,(H2,24,25)/b5-4-,7-6-.

What are the key properties of 3-(4-methylcyclohexyl)-1-[5-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrrol-2-yl]imidazo[1,5-a]pyrazin-8-amine?

3-(4-methylcyclohexyl)-1-[5-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrrol-2-yl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 375.52 g/mol, XLogP of 5.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-methylcyclohexyl)-1-[5-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrrol-2-yl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 143469204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).