(2S,6R)-4-[6-(2-cyclopropylethynyl)-2,3-dimethylpyrido[2,3-b]pyrazin-8-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine

C25H28N6O — CID 166121672

About (2S,6R)-4-[6-(2-cyclopropylethynyl)-2,3-dimethylpyrido[2,3-b]pyrazin-8-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine

(2S,6R)-4-[6-(2-cyclopropylethynyl)-2,3-dimethylpyrido[2,3-b]pyrazin-8-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine (PubChem CID 166121672) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is (2S,6R)-4-[6-(2-cyclopropylethynyl)-2,3-dimethylpyrido[2,3-b]pyrazin-8-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine.

Molecular Properties

• Compound Name: (2S,6R)-4-[6-(2-cyclopropylethynyl)-2,3-dimethylpyrido[2,3-b]pyrazin-8-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine
• PubChem CID: 166121672
• Molecular Formula: C25H28N6O
• Molecular Weight: 428.54 g/mol
• Exact Mass: 428.23
• IUPAC Name: (2S,6R)-4-[6-(2-cyclopropylethynyl)-2,3-dimethylpyrido[2,3-b]pyrazin-8-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine
• SMILES: Cc1nc2nc(C#CC3CC3)cc(N3C[C@@H](C)O[C@@H](c4cnn(C5CC5)c4)C3)c2nc1C
• InChI: InChI=1S/C25H28N6O/c1-15-12-30(14-23(32-15)19-11-26-31(13-19)21-8-9-21)22-10-20(7-6-18-4-5-18)29-25-24(22)27-16(2)17(3)28-25/h10-11,13,15,18,21,23H,4-5,8-9,12,14H2,1-3H3/t15-,23-/m1/s1
• InChIKey: MHRPYTJRPDPOID-IQMFZBJNSA-N
• XLogP: 3.90
• TPSA: 68.96 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.54
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[6-(2-cyclopropylethynyl)-2,3-dimethylpyrido[2,3-b]pyrazin-8-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine?

The IUPAC name of (2S,6R)-4-[6-(2-cyclopropylethynyl)-2,3-dimethylpyrido[2,3-b]pyrazin-8-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine (CID 166121672) is (2S,6R)-4-[6-(2-cyclopropylethynyl)-2,3-dimethylpyrido[2,3-b]pyrazin-8-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine.

What is the SMILES notation for (2S,6R)-4-[6-(2-cyclopropylethynyl)-2,3-dimethylpyrido[2,3-b]pyrazin-8-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine?

The canonical SMILES for (2S,6R)-4-[6-(2-cyclopropylethynyl)-2,3-dimethylpyrido[2,3-b]pyrazin-8-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine is Cc1nc2nc(C#CC3CC3)cc(N3C[C@@H](C)O[C@@H](c4cnn(C5CC5)c4)C3)c2nc1C.

What is the InChIKey of (2S,6R)-4-[6-(2-cyclopropylethynyl)-2,3-dimethylpyrido[2,3-b]pyrazin-8-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine?

The InChIKey is MHRPYTJRPDPOID-IQMFZBJNSA-N. The full InChI is InChI=1S/C25H28N6O/c1-15-12-30(14-23(32-15)19-11-26-31(13-19)21-8-9-21)22-10-20(7-6-18-4-5-18)29-25-24(22)27-16(2)17(3)28-25/h10-11,13,15,18,21,23H,4-5,8-9,12,14H2,1-3H3/t15-,23-/m1/s1.

What are the key properties of (2S,6R)-4-[6-(2-cyclopropylethynyl)-2,3-dimethylpyrido[2,3-b]pyrazin-8-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine?

(2S,6R)-4-[6-(2-cyclopropylethynyl)-2,3-dimethylpyrido[2,3-b]pyrazin-8-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine has a molecular weight of 428.54 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,6R)-4-[6-(2-cyclopropylethynyl)-2,3-dimethylpyrido[2,3-b]pyrazin-8-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine is sourced from PubChem (CID 166121672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).