N-[(R)-(6-methylidene-1H-pyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine

C28H23N7 — CID 134509466

About N-[(R)-(6-methylidene-1H-pyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine

N-[(R)-(6-methylidene-1H-pyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine (PubChem CID 134509466) has the molecular formula C28H23N7 and a molecular weight of 457.54 g/mol. Its IUPAC name is N-[(R)-(6-methylidene-1H-pyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine.

Molecular Properties

• Compound Name: N-[(R)-(6-methylidene-1H-pyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine
• PubChem CID: 134509466
• Molecular Formula: C28H23N7
• Molecular Weight: 457.54 g/mol
• Exact Mass: 457.20
• IUPAC Name: N-[(R)-(6-methylidene-1H-pyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine
• SMILES: C=C1C=CC([C@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cccnc2)=NN1
• InChI: InChI=1S/C28H23N7/c1-18-5-8-24(34-33-18)27(21-4-3-10-29-17-21)32-22-15-23(28-25(16-22)30-11-12-31-28)20-7-6-19-9-13-35(2)26(19)14-20/h3-17,27,32-33H,1H2,2H3/t27-/m1/s1
• InChIKey: ISIBLWGROHVNOC-HHHXNRCGSA-N
• XLogP: 5.37
• TPSA: 80.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.54
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(6-methylidene-1H-pyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine?

The IUPAC name of N-[(R)-(6-methylidene-1H-pyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine (CID 134509466) is N-[(R)-(6-methylidene-1H-pyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine.

What is the SMILES notation for N-[(R)-(6-methylidene-1H-pyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine?

The canonical SMILES for N-[(R)-(6-methylidene-1H-pyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine is C=C1C=CC([C@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cccnc2)=NN1.

What is the InChIKey of N-[(R)-(6-methylidene-1H-pyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine?

The InChIKey is ISIBLWGROHVNOC-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H23N7/c1-18-5-8-24(34-33-18)27(21-4-3-10-29-17-21)32-22-15-23(28-25(16-22)30-11-12-31-28)20-7-6-19-9-13-35(2)26(19)14-20/h3-17,27,32-33H,1H2,2H3/t27-/m1/s1.

What are the key properties of N-[(R)-(6-methylidene-1H-pyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine?

N-[(R)-(6-methylidene-1H-pyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine has a molecular weight of 457.54 g/mol, XLogP of 5.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(R)-(6-methylidene-1H-pyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine is sourced from PubChem (CID 134509466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).