N-[(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methyl-2,3-dihydroindol-6-yl)quinoxalin-6-amine

C28H25N7O — CID 134509542

About N-[(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methyl-2,3-dihydroindol-6-yl)quinoxalin-6-amine

N-[(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methyl-2,3-dihydroindol-6-yl)quinoxalin-6-amine (PubChem CID 134509542) has the molecular formula C28H25N7O and a molecular weight of 475.56 g/mol. Its IUPAC name is N-[(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methyl-2,3-dihydroindol-6-yl)quinoxalin-6-amine.

Molecular Properties

• Compound Name: N-[(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methyl-2,3-dihydroindol-6-yl)quinoxalin-6-amine
• PubChem CID: 134509542
• Molecular Formula: C28H25N7O
• Molecular Weight: 475.56 g/mol
• Exact Mass: 475.21
• IUPAC Name: N-[(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methyl-2,3-dihydroindol-6-yl)quinoxalin-6-amine
• SMILES: COc1ccc(C(Nc2cc(-c3ccc4c(c3)N(C)CC4)c3nccnc3c2)c2cccnc2)nn1
• InChI: InChI=1S/C28H25N7O/c1-35-13-9-18-5-6-19(14-25(18)35)22-15-21(16-24-28(22)31-12-11-30-24)32-27(20-4-3-10-29-17-20)23-7-8-26(36-2)34-33-23/h3-8,10-12,14-17,27,32H,9,13H2,1-2H3
• InChIKey: IOXSPGAYKAZFDJ-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 88.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.56
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methyl-2,3-dihydroindol-6-yl)quinoxalin-6-amine?

The IUPAC name of N-[(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methyl-2,3-dihydroindol-6-yl)quinoxalin-6-amine (CID 134509542) is N-[(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methyl-2,3-dihydroindol-6-yl)quinoxalin-6-amine.

What is the SMILES notation for N-[(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methyl-2,3-dihydroindol-6-yl)quinoxalin-6-amine?

The canonical SMILES for N-[(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methyl-2,3-dihydroindol-6-yl)quinoxalin-6-amine is COc1ccc(C(Nc2cc(-c3ccc4c(c3)N(C)CC4)c3nccnc3c2)c2cccnc2)nn1.

What is the InChIKey of N-[(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methyl-2,3-dihydroindol-6-yl)quinoxalin-6-amine?

The InChIKey is IOXSPGAYKAZFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N7O/c1-35-13-9-18-5-6-19(14-25(18)35)22-15-21(16-24-28(22)31-12-11-30-24)32-27(20-4-3-10-29-17-20)23-7-8-26(36-2)34-33-23/h3-8,10-12,14-17,27,32H,9,13H2,1-2H3.

What are the key properties of N-[(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methyl-2,3-dihydroindol-6-yl)quinoxalin-6-amine?

N-[(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methyl-2,3-dihydroindol-6-yl)quinoxalin-6-amine has a molecular weight of 475.56 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methyl-2,3-dihydroindol-6-yl)quinoxalin-6-amine is sourced from PubChem (CID 134509542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).