4-[3-[(2S)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]morpholin-2-yl]pyrazin-2-yl]benzamide

C26H28N4O3 — CID 129360738

About 4-[3-[(2S)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]morpholin-2-yl]pyrazin-2-yl]benzamide

4-[3-[(2S)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]morpholin-2-yl]pyrazin-2-yl]benzamide (PubChem CID 129360738) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 4-[3-[(2S)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]morpholin-2-yl]pyrazin-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-[3-[(2S)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]morpholin-2-yl]pyrazin-2-yl]benzamide
• PubChem CID: 129360738
• Molecular Formula: C26H28N4O3
• Molecular Weight: 444.54 g/mol
• Exact Mass: 444.22
• IUPAC Name: 4-[3-[(2S)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]morpholin-2-yl]pyrazin-2-yl]benzamide
• SMILES: COc1cc2c(cc1CN1CCO[C@H](c3nccnc3-c3ccc(C(N)=O)cc3)C1)CCC2
• InChI: InChI=1S/C26H28N4O3/c1-32-22-14-20-4-2-3-19(20)13-21(22)15-30-11-12-33-23(16-30)25-24(28-9-10-29-25)17-5-7-18(8-6-17)26(27)31/h5-10,13-14,23H,2-4,11-12,15-16H2,1H3,(H2,27,31)/t23-/m0/s1
• InChIKey: GCTBVLAPIYOPBG-QHCPKHFHSA-N
• XLogP: 3.31
• TPSA: 90.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.54
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2S)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]morpholin-2-yl]pyrazin-2-yl]benzamide?

The IUPAC name of 4-[3-[(2S)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]morpholin-2-yl]pyrazin-2-yl]benzamide (CID 129360738) is 4-[3-[(2S)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]morpholin-2-yl]pyrazin-2-yl]benzamide.

What is the SMILES notation for 4-[3-[(2S)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]morpholin-2-yl]pyrazin-2-yl]benzamide?

The canonical SMILES for 4-[3-[(2S)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]morpholin-2-yl]pyrazin-2-yl]benzamide is COc1cc2c(cc1CN1CCO[C@H](c3nccnc3-c3ccc(C(N)=O)cc3)C1)CCC2.

What is the InChIKey of 4-[3-[(2S)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]morpholin-2-yl]pyrazin-2-yl]benzamide?

The InChIKey is GCTBVLAPIYOPBG-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-32-22-14-20-4-2-3-19(20)13-21(22)15-30-11-12-33-23(16-30)25-24(28-9-10-29-25)17-5-7-18(8-6-17)26(27)31/h5-10,13-14,23H,2-4,11-12,15-16H2,1H3,(H2,27,31)/t23-/m0/s1.

What are the key properties of 4-[3-[(2S)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]morpholin-2-yl]pyrazin-2-yl]benzamide?

4-[3-[(2S)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]morpholin-2-yl]pyrazin-2-yl]benzamide has a molecular weight of 444.54 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[(2S)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]morpholin-2-yl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 129360738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).