N-[5-[5-(3-methoxyazetidin-1-yl)-1,3-benzoxazol-2-yl]-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

C24H24N6O3 — CID 170627093

About N-[5-[5-(3-methoxyazetidin-1-yl)-1,3-benzoxazol-2-yl]-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

N-[5-[5-(3-methoxyazetidin-1-yl)-1,3-benzoxazol-2-yl]-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 170627093) has the molecular formula C24H24N6O3 and a molecular weight of 447.51 g/mol. Its IUPAC name is N-[5-[5-(3-methoxyazetidin-1-yl)-1,3-benzoxazol-2-yl]-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[5-(3-methoxyazetidin-1-yl)-1,3-benzoxazol-2-yl]-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
• PubChem CID: 170627093
• Molecular Formula: C24H24N6O3
• Molecular Weight: 447.51 g/mol
• Exact Mass: 447.21
• IUPAC Name: N-[5-[5-(3-methoxyazetidin-1-yl)-1,3-benzoxazol-2-yl]-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
• SMILES: [2H]C([2H])([2H])Nc1ncc(-c2nc3cc(N4CC(OC)C4)ccc3o2)c2cc(NC(=O)C3CC3)ncc12
• InChI: InChI=1S/C24H24N6O3/c1-25-22-17-9-26-21(29-23(31)13-3-4-13)8-16(17)18(10-27-22)24-28-19-7-14(5-6-20(19)33-24)30-11-15(12-30)32-2/h5-10,13,15H,3-4,11-12H2,1-2H3,(H,25,27)(H,26,29,31)/i1D3
• InChIKey: NHJXAGIMBKRYQE-FIBGUPNXSA-N
• XLogP: 3.66
• TPSA: 105.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.51
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(3-methoxyazetidin-1-yl)-1,3-benzoxazol-2-yl]-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

The IUPAC name of N-[5-[5-(3-methoxyazetidin-1-yl)-1,3-benzoxazol-2-yl]-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (CID 170627093) is N-[5-[5-(3-methoxyazetidin-1-yl)-1,3-benzoxazol-2-yl]-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[5-[5-(3-methoxyazetidin-1-yl)-1,3-benzoxazol-2-yl]-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[5-[5-(3-methoxyazetidin-1-yl)-1,3-benzoxazol-2-yl]-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is [2H]C([2H])([2H])Nc1ncc(-c2nc3cc(N4CC(OC)C4)ccc3o2)c2cc(NC(=O)C3CC3)ncc12.

What is the InChIKey of N-[5-[5-(3-methoxyazetidin-1-yl)-1,3-benzoxazol-2-yl]-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

The InChIKey is NHJXAGIMBKRYQE-FIBGUPNXSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-25-22-17-9-26-21(29-23(31)13-3-4-13)8-16(17)18(10-27-22)24-28-19-7-14(5-6-20(19)33-24)30-11-15(12-30)32-2/h5-10,13,15H,3-4,11-12H2,1-2H3,(H,25,27)(H,26,29,31)/i1D3.

What are the key properties of N-[5-[5-(3-methoxyazetidin-1-yl)-1,3-benzoxazol-2-yl]-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

N-[5-[5-(3-methoxyazetidin-1-yl)-1,3-benzoxazol-2-yl]-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 447.51 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[5-(3-methoxyazetidin-1-yl)-1,3-benzoxazol-2-yl]-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 170627093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).