methoxyethane;7-[6-(8-methylimidazo[1,2-a]pyrazin-6-yl)indazol-1-yl]heptanal;4-(4-methylphenyl)morpholine

C35H46N6O3 — CID 142373413

About methoxyethane;7-[6-(8-methylimidazo[1,2-a]pyrazin-6-yl)indazol-1-yl]heptanal;4-(4-methylphenyl)morpholine

methoxyethane;7-[6-(8-methylimidazo[1,2-a]pyrazin-6-yl)indazol-1-yl]heptanal;4-(4-methylphenyl)morpholine (PubChem CID 142373413) has the molecular formula C35H46N6O3 and a molecular weight of 598.79 g/mol. Its IUPAC name is methoxyethane;7-[6-(8-methylimidazo[1,2-a]pyrazin-6-yl)indazol-1-yl]heptanal;4-(4-methylphenyl)morpholine.

Molecular Properties

• Compound Name: methoxyethane;7-[6-(8-methylimidazo[1,2-a]pyrazin-6-yl)indazol-1-yl]heptanal;4-(4-methylphenyl)morpholine
• PubChem CID: 142373413
• Molecular Formula: C35H46N6O3
• Molecular Weight: 598.79 g/mol
• Exact Mass: 598.36
• IUPAC Name: methoxyethane;7-[6-(8-methylimidazo[1,2-a]pyrazin-6-yl)indazol-1-yl]heptanal;4-(4-methylphenyl)morpholine
• SMILES: CCOC.Cc1ccc(N2CCOCC2)cc1.Cc1nc(-c2ccc3cnn(CCCCCCC=O)c3c2)cn2ccnc12
• InChI: InChI=1S/C21H23N5O.C11H15NO.C3H8O/c1-16-21-22-9-11-25(21)15-19(24-16)17-7-8-18-14-23-26(20(18)13-17)10-5-3-2-4-6-12-27;1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;1-3-4-2/h7-9,11-15H,2-6,10H2,1H3;2-5H,6-9H2,1H3;3H2,1-2H3
• InChIKey: FOKNWBJADRXNAY-UHFFFAOYSA-N
• XLogP: 6.69
• TPSA: 86.78 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	598.79
LogP ≤ 5	6.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methoxyethane;7-[6-(8-methylimidazo[1,2-a]pyrazin-6-yl)indazol-1-yl]heptanal;4-(4-methylphenyl)morpholine?

The IUPAC name of methoxyethane;7-[6-(8-methylimidazo[1,2-a]pyrazin-6-yl)indazol-1-yl]heptanal;4-(4-methylphenyl)morpholine (CID 142373413) is methoxyethane;7-[6-(8-methylimidazo[1,2-a]pyrazin-6-yl)indazol-1-yl]heptanal;4-(4-methylphenyl)morpholine.

What is the SMILES notation for methoxyethane;7-[6-(8-methylimidazo[1,2-a]pyrazin-6-yl)indazol-1-yl]heptanal;4-(4-methylphenyl)morpholine?

The canonical SMILES for methoxyethane;7-[6-(8-methylimidazo[1,2-a]pyrazin-6-yl)indazol-1-yl]heptanal;4-(4-methylphenyl)morpholine is CCOC.Cc1ccc(N2CCOCC2)cc1.Cc1nc(-c2ccc3cnn(CCCCCCC=O)c3c2)cn2ccnc12.

What is the InChIKey of methoxyethane;7-[6-(8-methylimidazo[1,2-a]pyrazin-6-yl)indazol-1-yl]heptanal;4-(4-methylphenyl)morpholine?

The InChIKey is FOKNWBJADRXNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O.C11H15NO.C3H8O/c1-16-21-22-9-11-25(21)15-19(24-16)17-7-8-18-14-23-26(20(18)13-17)10-5-3-2-4-6-12-27;1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;1-3-4-2/h7-9,11-15H,2-6,10H2,1H3;2-5H,6-9H2,1H3;3H2,1-2H3.

What are the key properties of methoxyethane;7-[6-(8-methylimidazo[1,2-a]pyrazin-6-yl)indazol-1-yl]heptanal;4-(4-methylphenyl)morpholine?

methoxyethane;7-[6-(8-methylimidazo[1,2-a]pyrazin-6-yl)indazol-1-yl]heptanal;4-(4-methylphenyl)morpholine has a molecular weight of 598.79 g/mol, XLogP of 6.69, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methoxyethane;7-[6-(8-methylimidazo[1,2-a]pyrazin-6-yl)indazol-1-yl]heptanal;4-(4-methylphenyl)morpholine is sourced from PubChem (CID 142373413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).