[(2S)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone

C22H24N6O2 — CID 124965137

About [(2S)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone

[(2S)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 124965137) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is [(2S)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

• Compound Name: [(2S)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone
• PubChem CID: 124965137
• Molecular Formula: C22H24N6O2
• Molecular Weight: 404.47 g/mol
• Exact Mass: 404.20
• IUPAC Name: [(2S)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone
• SMILES: Cc1cnc(C(=O)N2CCO[C@H](c3cc(Nc4cccc(C)n4)cc(C)n3)C2)cn1
• InChI: InChI=1S/C22H24N6O2/c1-14-5-4-6-21(26-14)27-17-9-15(2)25-18(10-17)20-13-28(7-8-30-20)22(29)19-12-23-16(3)11-24-19/h4-6,9-12,20H,7-8,13H2,1-3H3,(H,25,26,27)/t20-/m0/s1
• InChIKey: ICSDPQDAYBAXRH-FQEVSTJZSA-N
• XLogP: 3.15
• TPSA: 93.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.47
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone?

The IUPAC name of [(2S)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone (CID 124965137) is [(2S)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone.

What is the SMILES notation for [(2S)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone?

The canonical SMILES for [(2S)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2CCO[C@H](c3cc(Nc4cccc(C)n4)cc(C)n3)C2)cn1.

What is the InChIKey of [(2S)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone?

The InChIKey is ICSDPQDAYBAXRH-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-14-5-4-6-21(26-14)27-17-9-15(2)25-18(10-17)20-13-28(7-8-30-20)22(29)19-12-23-16(3)11-24-19/h4-6,9-12,20H,7-8,13H2,1-3H3,(H,25,26,27)/t20-/m0/s1.

What are the key properties of [(2S)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone?

[(2S)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 404.47 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 124965137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).