1-[(2S)-2-[(1R)-1-[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxyethyl]morpholin-4-yl]ethanone

C23H27N5O3 — CID 134327263

About 1-[(2S)-2-[(1R)-1-[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxyethyl]morpholin-4-yl]ethanone

1-[(2S)-2-[(1R)-1-[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxyethyl]morpholin-4-yl]ethanone (PubChem CID 134327263) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 1-[(2S)-2-[(1R)-1-[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxyethyl]morpholin-4-yl]ethanone.

Molecular Properties

• Compound Name: 1-[(2S)-2-[(1R)-1-[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxyethyl]morpholin-4-yl]ethanone
• PubChem CID: 134327263
• Molecular Formula: C23H27N5O3
• Molecular Weight: 421.50 g/mol
• Exact Mass: 421.21
• IUPAC Name: 1-[(2S)-2-[(1R)-1-[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxyethyl]morpholin-4-yl]ethanone
• SMILES: CC(=O)N1CCO[C@H]([C@@H](C)Oc2nc(-c3ccc(N(C)C)cc3)cc3nccnc23)C1
• InChI: InChI=1S/C23H27N5O3/c1-15(21-14-28(16(2)29)11-12-30-21)31-23-22-20(24-9-10-25-22)13-19(26-23)17-5-7-18(8-6-17)27(3)4/h5-10,13,15,21H,11-12,14H2,1-4H3/t15-,21+/m1/s1
• InChIKey: OAUVQADVTVCYNI-VFNWGFHPSA-N
• XLogP: 2.77
• TPSA: 80.68 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.50
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[(1R)-1-[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxyethyl]morpholin-4-yl]ethanone?

The IUPAC name of 1-[(2S)-2-[(1R)-1-[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxyethyl]morpholin-4-yl]ethanone (CID 134327263) is 1-[(2S)-2-[(1R)-1-[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxyethyl]morpholin-4-yl]ethanone.

What is the SMILES notation for 1-[(2S)-2-[(1R)-1-[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxyethyl]morpholin-4-yl]ethanone?

The canonical SMILES for 1-[(2S)-2-[(1R)-1-[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxyethyl]morpholin-4-yl]ethanone is CC(=O)N1CCO[C@H]([C@@H](C)Oc2nc(-c3ccc(N(C)C)cc3)cc3nccnc23)C1.

What is the InChIKey of 1-[(2S)-2-[(1R)-1-[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxyethyl]morpholin-4-yl]ethanone?

The InChIKey is OAUVQADVTVCYNI-VFNWGFHPSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-15(21-14-28(16(2)29)11-12-30-21)31-23-22-20(24-9-10-25-22)13-19(26-23)17-5-7-18(8-6-17)27(3)4/h5-10,13,15,21H,11-12,14H2,1-4H3/t15-,21+/m1/s1.

What are the key properties of 1-[(2S)-2-[(1R)-1-[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxyethyl]morpholin-4-yl]ethanone?

1-[(2S)-2-[(1R)-1-[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxyethyl]morpholin-4-yl]ethanone has a molecular weight of 421.50 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-2-[(1R)-1-[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxyethyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 134327263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).