2,3-dideuterio-8-[(2R,6S)-2-methyl-6-[[4-[(8R)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile;2,3-dideuterio-8-[(2R,6S)-2-methyl-6-[[4-[(8S)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile

C56H68N16O2 — CID 157434968

About 2,3-dideuterio-8-[(2R,6S)-2-methyl-6-[[4-[(8R)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile;2,3-dideuterio-8-[(2R,6S)-2-methyl-6-[[4-[(8S)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile

2,3-dideuterio-8-[(2R,6S)-2-methyl-6-[[4-[(8R)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile;2,3-dideuterio-8-[(2R,6S)-2-methyl-6-[[4-[(8S)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile (PubChem CID 157434968) has the molecular formula C56H68N16O2 and a molecular weight of 1001.29 g/mol. Its IUPAC name is 2,3-dideuterio-8-[(2R,6S)-2-methyl-6-[[4-[(8R)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile;2,3-dideuterio-8-[(2R,6S)-2-methyl-6-[[4-[(8S)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile.

Molecular Properties

• Compound Name: 2,3-dideuterio-8-[(2R,6S)-2-methyl-6-[[4-[(8R)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile;2,3-dideuterio-8-[(2R,6S)-2-methyl-6-[[4-[(8S)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile
• PubChem CID: 157434968
• Molecular Formula: C56H68N16O2
• Molecular Weight: 1001.29 g/mol
• Exact Mass: 1000.60
• IUPAC Name: 2,3-dideuterio-8-[(2R,6S)-2-methyl-6-[[4-[(8R)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile;2,3-dideuterio-8-[(2R,6S)-2-methyl-6-[[4-[(8S)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile
• SMILES: [2H]c1nc2c(C#N)ccc(N3C[C@H](CN4CCN(c5cc6c(cn5)[C@@H](C)NCC6)CC4)O[C@H](C)C3)c2nc1[2H].[2H]c1nc2c(C#N)ccc(N3C[C@H](CN4CCN(c5cc6c(cn5)[C@H](C)NCC6)CC4)O[C@H](C)C3)c2nc1[2H]
• InChI: InChI=1S/2C28H34N8O/c2*1-19-16-36(25-4-3-22(14-29)27-28(25)32-8-7-31-27)18-23(37-19)17-34-9-11-35(12-10-34)26-13-21-5-6-30-20(2)24(21)15-33-26/h2*3-4,7-8,13,15,19-20,23,30H,5-6,9-12,16-18H2,1-2H3/t19-,20+,23+;19-,20-,23+/m11/s1/i2*7D,8D
• InChIKey: BQZIRILONCGSHO-IHUMPRSKSA-N
• XLogP: 5.04
• TPSA: 186.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 8
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1001.29
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2,3-dideuterio-8-[(2R,6S)-2-methyl-6-[[4-[(8R)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile;2,3-dideuterio-8-[(2R,6S)-2-methyl-6-[[4-[(8S)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile?

The IUPAC name of 2,3-dideuterio-8-[(2R,6S)-2-methyl-6-[[4-[(8R)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile;2,3-dideuterio-8-[(2R,6S)-2-methyl-6-[[4-[(8S)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile (CID 157434968) is 2,3-dideuterio-8-[(2R,6S)-2-methyl-6-[[4-[(8R)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile;2,3-dideuterio-8-[(2R,6S)-2-methyl-6-[[4-[(8S)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile.

What is the SMILES notation for 2,3-dideuterio-8-[(2R,6S)-2-methyl-6-[[4-[(8R)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile;2,3-dideuterio-8-[(2R,6S)-2-methyl-6-[[4-[(8S)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile?

The canonical SMILES for 2,3-dideuterio-8-[(2R,6S)-2-methyl-6-[[4-[(8R)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile;2,3-dideuterio-8-[(2R,6S)-2-methyl-6-[[4-[(8S)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile is [2H]c1nc2c(C#N)ccc(N3C[C@H](CN4CCN(c5cc6c(cn5)[C@@H](C)NCC6)CC4)O[C@H](C)C3)c2nc1[2H].[2H]c1nc2c(C#N)ccc(N3C[C@H](CN4CCN(c5cc6c(cn5)[C@H](C)NCC6)CC4)O[C@H](C)C3)c2nc1[2H].

What is the InChIKey of 2,3-dideuterio-8-[(2R,6S)-2-methyl-6-[[4-[(8R)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile;2,3-dideuterio-8-[(2R,6S)-2-methyl-6-[[4-[(8S)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile?

The InChIKey is BQZIRILONCGSHO-IHUMPRSKSA-N. The full InChI is InChI=1S/2C28H34N8O/c2*1-19-16-36(25-4-3-22(14-29)27-28(25)32-8-7-31-27)18-23(37-19)17-34-9-11-35(12-10-34)26-13-21-5-6-30-20(2)24(21)15-33-26/h2*3-4,7-8,13,15,19-20,23,30H,5-6,9-12,16-18H2,1-2H3/t19-,20+,23+;19-,20-,23+/m11/s1/i2*7D,8D.

What are the key properties of 2,3-dideuterio-8-[(2R,6S)-2-methyl-6-[[4-[(8R)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile;2,3-dideuterio-8-[(2R,6S)-2-methyl-6-[[4-[(8S)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile?

2,3-dideuterio-8-[(2R,6S)-2-methyl-6-[[4-[(8R)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile;2,3-dideuterio-8-[(2R,6S)-2-methyl-6-[[4-[(8S)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile has a molecular weight of 1001.29 g/mol, XLogP of 5.04, 8 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dideuterio-8-[(2R,6S)-2-methyl-6-[[4-[(8R)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile;2,3-dideuterio-8-[(2R,6S)-2-methyl-6-[[4-[(8S)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile is sourced from PubChem (CID 157434968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).