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

C29H29N5O4 — CID 121394347

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

6-[7-[1-(6-methoxypyrazin-2-yl)ethylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one (PubChem CID 121394347) has the molecular formula C29H29N5O4 and a molecular weight of 511.58 g/mol. Its IUPAC name is 6-[7-[1-(6-methoxypyrazin-2-yl)ethylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 6-[7-[1-(6-methoxypyrazin-2-yl)ethylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
• PubChem CID: 121394347
• Molecular Formula: C29H29N5O4
• Molecular Weight: 511.58 g/mol
• Exact Mass: 511.22
• IUPAC Name: 6-[7-[1-(6-methoxypyrazin-2-yl)ethylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
• SMILES: COc1cncc(C(C)Nc2ccc3c(c2)Cc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)n1
• InChI: InChI=1S/C29H29N5O4/c1-18(25-16-30-17-28(33-25)36-2)31-21-6-7-26-20(13-21)12-19-4-3-5-23(29(19)38-26)24-14-22(15-27(35)32-24)34-8-10-37-11-9-34/h3-7,13-18,31H,8-12H2,1-2H3,(H,32,35)
• InChIKey: GPGNARCHDFPRIR-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 101.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.58
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-[7-[1-(6-methoxypyrazin-2-yl)ethylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one (CID 121394347) is 6-[7-[1-(6-methoxypyrazin-2-yl)ethylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one.

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

The canonical SMILES for 6-[7-[1-(6-methoxypyrazin-2-yl)ethylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one is COc1cncc(C(C)Nc2ccc3c(c2)Cc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)n1.

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

The InChIKey is GPGNARCHDFPRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O4/c1-18(25-16-30-17-28(33-25)36-2)31-21-6-7-26-20(13-21)12-19-4-3-5-23(29(19)38-26)24-14-22(15-27(35)32-24)34-8-10-37-11-9-34/h3-7,13-18,31H,8-12H2,1-2H3,(H,32,35).

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

6-[7-[1-(6-methoxypyrazin-2-yl)ethylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one has a molecular weight of 511.58 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[7-[1-(6-methoxypyrazin-2-yl)ethylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one is sourced from PubChem (CID 121394347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).