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

C22H25N5O3 — CID 75202898

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

1-[(2S)-2-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone (PubChem CID 75202898) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 1-[(2S)-2-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone.

Molecular Properties

• Compound Name: 1-[(2S)-2-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone
• PubChem CID: 75202898
• Molecular Formula: C22H25N5O3
• Molecular Weight: 407.47 g/mol
• Exact Mass: 407.20
• IUPAC Name: 1-[(2S)-2-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone
• SMILES: CC(=O)N1CCO[C@H](COc2nc(-c3ccc(N(C)C)cc3)cc3nccnc23)C1
• InChI: InChI=1S/C22H25N5O3/c1-15(28)27-10-11-29-18(13-27)14-30-22-21-20(23-8-9-24-21)12-19(25-22)16-4-6-17(7-5-16)26(2)3/h4-9,12,18H,10-11,13-14H2,1-3H3/t18-/m0/s1
• InChIKey: RTAAHYJQJJTNMB-SFHVURJKSA-N
• XLogP: 2.38
• TPSA: 80.68 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.47
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[(2S)-2-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone (CID 75202898) is 1-[(2S)-2-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone.

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

The canonical SMILES for 1-[(2S)-2-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone is CC(=O)N1CCO[C@H](COc2nc(-c3ccc(N(C)C)cc3)cc3nccnc23)C1.

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

The InChIKey is RTAAHYJQJJTNMB-SFHVURJKSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-15(28)27-10-11-29-18(13-27)14-30-22-21-20(23-8-9-24-21)12-19(25-22)16-4-6-17(7-5-16)26(2)3/h4-9,12,18H,10-11,13-14H2,1-3H3/t18-/m0/s1.

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

1-[(2S)-2-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone has a molecular weight of 407.47 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-2-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 75202898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).