6-[1-[6-(2-methoxyethoxy)-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide

C22H24N8O4 — CID 171524710

About 6-[1-[6-(2-methoxyethoxy)-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide

6-[1-[6-(2-methoxyethoxy)-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide (PubChem CID 171524710) has the molecular formula C22H24N8O4 and a molecular weight of 464.49 g/mol. Its IUPAC name is 6-[1-[6-(2-methoxyethoxy)-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 6-[1-[6-(2-methoxyethoxy)-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
• PubChem CID: 171524710
• Molecular Formula: C22H24N8O4
• Molecular Weight: 464.49 g/mol
• Exact Mass: 464.19
• IUPAC Name: 6-[1-[6-(2-methoxyethoxy)-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
• SMILES: COCCOc1ccc2nc(N3CC(c4cnc(Nc5cnn(C)c5)c(C(N)=O)n4)C3)oc2c1
• InChI: InChI=1S/C22H24N8O4/c1-29-12-14(8-25-29)26-21-19(20(23)31)27-17(9-24-21)13-10-30(11-13)22-28-16-4-3-15(7-18(16)34-22)33-6-5-32-2/h3-4,7-9,12-13H,5-6,10-11H2,1-2H3,(H2,23,31)(H,24,26)
• InChIKey: KIXXEKNVVKAIMX-UHFFFAOYSA-N
• XLogP: 1.82
• TPSA: 146.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.49
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[1-[6-(2-methoxyethoxy)-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?

The IUPAC name of 6-[1-[6-(2-methoxyethoxy)-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide (CID 171524710) is 6-[1-[6-(2-methoxyethoxy)-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide.

What is the SMILES notation for 6-[1-[6-(2-methoxyethoxy)-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?

The canonical SMILES for 6-[1-[6-(2-methoxyethoxy)-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide is COCCOc1ccc2nc(N3CC(c4cnc(Nc5cnn(C)c5)c(C(N)=O)n4)C3)oc2c1.

What is the InChIKey of 6-[1-[6-(2-methoxyethoxy)-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?

The InChIKey is KIXXEKNVVKAIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O4/c1-29-12-14(8-25-29)26-21-19(20(23)31)27-17(9-24-21)13-10-30(11-13)22-28-16-4-3-15(7-18(16)34-22)33-6-5-32-2/h3-4,7-9,12-13H,5-6,10-11H2,1-2H3,(H2,23,31)(H,24,26).

What are the key properties of 6-[1-[6-(2-methoxyethoxy)-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?

6-[1-[6-(2-methoxyethoxy)-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide has a molecular weight of 464.49 g/mol, XLogP of 1.82, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-[6-(2-methoxyethoxy)-1,3-benzoxazol-2-yl]azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 171524710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).