2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[5-fluoro-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]benzamide

C24H28BrFN4O2 — CID 150630972

About 2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[5-fluoro-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]benzamide

2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[5-fluoro-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]benzamide (PubChem CID 150630972) has the molecular formula C24H28BrFN4O2 and a molecular weight of 503.42 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[5-fluoro-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]benzamide.

Molecular Properties

• Compound Name: 2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[5-fluoro-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]benzamide
• PubChem CID: 150630972
• Molecular Formula: C24H28BrFN4O2
• Molecular Weight: 503.42 g/mol
• Exact Mass: 502.14
• IUPAC Name: 2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[5-fluoro-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]benzamide
• SMILES: C[C@@H]1CN(c2nc(NC(=O)c3ccc(Br)cc3N3CCC4(CC3)CC4)ccc2F)CCO1
• InChI: InChI=1S/C24H28BrFN4O2/c1-16-15-30(12-13-32-16)22-19(26)4-5-21(27-22)28-23(31)18-3-2-17(25)14-20(18)29-10-8-24(6-7-24)9-11-29/h2-5,14,16H,6-13,15H2,1H3,(H,27,28,31)/t16-/m1/s1
• InChIKey: IXWKJLMIXXZKSV-MRXNPFEDSA-N
• XLogP: 4.84
• TPSA: 57.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.42
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[5-fluoro-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]benzamide?

The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[5-fluoro-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]benzamide (CID 150630972) is 2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[5-fluoro-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]benzamide.

What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[5-fluoro-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]benzamide?

The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[5-fluoro-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]benzamide is C[C@@H]1CN(c2nc(NC(=O)c3ccc(Br)cc3N3CCC4(CC3)CC4)ccc2F)CCO1.

What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[5-fluoro-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]benzamide?

The InChIKey is IXWKJLMIXXZKSV-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H28BrFN4O2/c1-16-15-30(12-13-32-16)22-19(26)4-5-21(27-22)28-23(31)18-3-2-17(25)14-20(18)29-10-8-24(6-7-24)9-11-29/h2-5,14,16H,6-13,15H2,1H3,(H,27,28,31)/t16-/m1/s1.

What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[5-fluoro-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]benzamide?

2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[5-fluoro-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]benzamide has a molecular weight of 503.42 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[5-fluoro-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 150630972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).