8-(1-methylindol-6-yl)-N-[[4-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]quinoxalin-6-amine;1-[2-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]methyl]morpholin-4-yl]ethanone

C₅₁H₄₈N₁₂O₂ — CID 158792643

About 8-(1-methylindol-6-yl)-N-[[4-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]quinoxalin-6-amine;1-[2-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]methyl]morpholin-4-yl]ethanone

8-(1-methylindol-6-yl)-N-[[4-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]quinoxalin-6-amine;1-[2-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]methyl]morpholin-4-yl]ethanone (PubChem CID 158792643) has the molecular formula C₅₁H₄₈N₁₂O₂ and a molecular weight of 861.03 g/mol. Its IUPAC name is 8-(1-methylindol-6-yl)-N-[[4-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]quinoxalin-6-amine;1-[2-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]methyl]morpholin-4-yl]ethanone.

Molecular Properties

• Compound Name: 8-(1-methylindol-6-yl)-N-[[4-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]quinoxalin-6-amine;1-[2-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]methyl]morpholin-4-yl]ethanone
• PubChem CID: 158792643
• Molecular Formula: C₅₁H₄₈N₁₂O₂
• Molecular Weight: 861.03 g/mol
• Exact Mass: 860.40
• IUPAC Name: 8-(1-methylindol-6-yl)-N-[[4-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]quinoxalin-6-amine;1-[2-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]methyl]morpholin-4-yl]ethanone
• SMILES: CC(=O)N1CCOC(CNc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)C1.Cn1cc(-c2ccncc2CNc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)cn1
• InChI: InChI=1S/C27H23N7.C24H25N5O2/c1-33-10-6-18-3-4-19(11-26(18)33)24-12-22(13-25-27(24)30-9-8-29-25)31-15-20-14-28-7-5-23(20)21-16-32-34(2)17-21;1-16(30)29-9-10-31-20(15-29)14-27-19-12-21(24-22(13-19)25-6-7-26-24)18-4-3-17-5-8-28(2)23(17)11-18/h3-14,16-17,31H,15H2,1-2H3;3-8,11-13,20,27H,9-10,14-15H2,1-2H3
• InChIKey: ISLVUYWYMZTGJV-UHFFFAOYSA-N
• XLogP: 8.64
• TPSA: 145.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	861.03
LogP ≤ 5	8.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-(1-methylindol-6-yl)-N-[[4-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]quinoxalin-6-amine;1-[2-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]methyl]morpholin-4-yl]ethanone?

The IUPAC name of 8-(1-methylindol-6-yl)-N-[[4-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]quinoxalin-6-amine;1-[2-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]methyl]morpholin-4-yl]ethanone (CID 158792643) is 8-(1-methylindol-6-yl)-N-[[4-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]quinoxalin-6-amine;1-[2-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]methyl]morpholin-4-yl]ethanone.

What is the SMILES notation for 8-(1-methylindol-6-yl)-N-[[4-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]quinoxalin-6-amine;1-[2-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]methyl]morpholin-4-yl]ethanone?

The canonical SMILES for 8-(1-methylindol-6-yl)-N-[[4-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]quinoxalin-6-amine;1-[2-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]methyl]morpholin-4-yl]ethanone is CC(=O)N1CCOC(CNc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)C1.Cn1cc(-c2ccncc2CNc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)cn1.

What is the InChIKey of 8-(1-methylindol-6-yl)-N-[[4-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]quinoxalin-6-amine;1-[2-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]methyl]morpholin-4-yl]ethanone?

The InChIKey is ISLVUYWYMZTGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N7.C24H25N5O2/c1-33-10-6-18-3-4-19(11-26(18)33)24-12-22(13-25-27(24)30-9-8-29-25)31-15-20-14-28-7-5-23(20)21-16-32-34(2)17-21;1-16(30)29-9-10-31-20(15-29)14-27-19-12-21(24-22(13-19)25-6-7-26-24)18-4-3-17-5-8-28(2)23(17)11-18/h3-14,16-17,31H,15H2,1-2H3;3-8,11-13,20,27H,9-10,14-15H2,1-2H3.

What are the key properties of 8-(1-methylindol-6-yl)-N-[[4-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]quinoxalin-6-amine;1-[2-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]methyl]morpholin-4-yl]ethanone?

8-(1-methylindol-6-yl)-N-[[4-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]quinoxalin-6-amine;1-[2-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]methyl]morpholin-4-yl]ethanone has a molecular weight of 861.03 g/mol, XLogP of 8.64, 9 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(1-methylindol-6-yl)-N-[[4-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]quinoxalin-6-amine;1-[2-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]methyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 158792643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158792643 — identifiers, structure, computed properties (public domain)

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