6-[7-[(6-methylpyrazin-2-yl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one

C28H27N5O3 — CID 121395163

About 6-[7-[(6-methylpyrazin-2-yl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one

6-[7-[(6-methylpyrazin-2-yl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one (PubChem CID 121395163) has the molecular formula C28H27N5O3 and a molecular weight of 481.56 g/mol. Its IUPAC name is 6-[7-[(6-methylpyrazin-2-yl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 6-[7-[(6-methylpyrazin-2-yl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
• PubChem CID: 121395163
• Molecular Formula: C28H27N5O3
• Molecular Weight: 481.56 g/mol
• Exact Mass: 481.21
• IUPAC Name: 6-[7-[(6-methylpyrazin-2-yl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
• SMILES: Cc1cncc(CNc2ccc3c(c2)Cc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)n1
• InChI: InChI=1S/C28H27N5O3/c1-18-15-29-16-22(31-18)17-30-21-5-6-26-20(12-21)11-19-3-2-4-24(28(19)36-26)25-13-23(14-27(34)32-25)33-7-9-35-10-8-33/h2-6,12-16,30H,7-11,17H2,1H3,(H,32,34)
• InChIKey: GFTGBSGEXFPFJT-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 92.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.56
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[7-[(6-methylpyrazin-2-yl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?

The IUPAC name of 6-[7-[(6-methylpyrazin-2-yl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one (CID 121395163) is 6-[7-[(6-methylpyrazin-2-yl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one.

What is the SMILES notation for 6-[7-[(6-methylpyrazin-2-yl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?

The canonical SMILES for 6-[7-[(6-methylpyrazin-2-yl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one is Cc1cncc(CNc2ccc3c(c2)Cc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)n1.

What is the InChIKey of 6-[7-[(6-methylpyrazin-2-yl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?

The InChIKey is GFTGBSGEXFPFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O3/c1-18-15-29-16-22(31-18)17-30-21-5-6-26-20(12-21)11-19-3-2-4-24(28(19)36-26)25-13-23(14-27(34)32-25)33-7-9-35-10-8-33/h2-6,12-16,30H,7-11,17H2,1H3,(H,32,34).

What are the key properties of 6-[7-[(6-methylpyrazin-2-yl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?

6-[7-[(6-methylpyrazin-2-yl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one has a molecular weight of 481.56 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[7-[(6-methylpyrazin-2-yl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one is sourced from PubChem (CID 121395163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).