4-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(2-hydroxyethylsulfonylamino)pyridine-3-carboxamide

C26H35FN6O6S — CID 170179347

About 4-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(2-hydroxyethylsulfonylamino)pyridine-3-carboxamide

4-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(2-hydroxyethylsulfonylamino)pyridine-3-carboxamide (PubChem CID 170179347) has the molecular formula C26H35FN6O6S and a molecular weight of 578.67 g/mol. Its IUPAC name is 4-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(2-hydroxyethylsulfonylamino)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(2-hydroxyethylsulfonylamino)pyridine-3-carboxamide
• PubChem CID: 170179347
• Molecular Formula: C26H35FN6O6S
• Molecular Weight: 578.67 g/mol
• Exact Mass: 578.23
• IUPAC Name: 4-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(2-hydroxyethylsulfonylamino)pyridine-3-carboxamide
• SMILES: C[C@@H]1CN(c2nc(NC(=O)c3cnc(NS(=O)(=O)CCO)cc3N3CCC4(CC3)CC4)ccc2OCF)CCO1
• InChI: InChI=1S/C26H35FN6O6S/c1-18-16-33(10-12-38-18)24-21(39-17-27)2-3-22(29-24)30-25(35)19-15-28-23(31-40(36,37)13-11-34)14-20(19)32-8-6-26(4-5-26)7-9-32/h2-3,14-15,18,34H,4-13,16-17H2,1H3,(H,28,31)(H,29,30,35)/t18-/m1/s1
• InChIKey: LSETXUONMCWDPB-GOSISDBHSA-N
• XLogP: 2.37
• TPSA: 146.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	578.67
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(2-hydroxyethylsulfonylamino)pyridine-3-carboxamide?

The IUPAC name of 4-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(2-hydroxyethylsulfonylamino)pyridine-3-carboxamide (CID 170179347) is 4-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(2-hydroxyethylsulfonylamino)pyridine-3-carboxamide.

What is the SMILES notation for 4-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(2-hydroxyethylsulfonylamino)pyridine-3-carboxamide?

The canonical SMILES for 4-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(2-hydroxyethylsulfonylamino)pyridine-3-carboxamide is C[C@@H]1CN(c2nc(NC(=O)c3cnc(NS(=O)(=O)CCO)cc3N3CCC4(CC3)CC4)ccc2OCF)CCO1.

What is the InChIKey of 4-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(2-hydroxyethylsulfonylamino)pyridine-3-carboxamide?

The InChIKey is LSETXUONMCWDPB-GOSISDBHSA-N. The full InChI is InChI=1S/C26H35FN6O6S/c1-18-16-33(10-12-38-18)24-21(39-17-27)2-3-22(29-24)30-25(35)19-15-28-23(31-40(36,37)13-11-34)14-20(19)32-8-6-26(4-5-26)7-9-32/h2-3,14-15,18,34H,4-13,16-17H2,1H3,(H,28,31)(H,29,30,35)/t18-/m1/s1.

What are the key properties of 4-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(2-hydroxyethylsulfonylamino)pyridine-3-carboxamide?

4-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(2-hydroxyethylsulfonylamino)pyridine-3-carboxamide has a molecular weight of 578.67 g/mol, XLogP of 2.37, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(2-hydroxyethylsulfonylamino)pyridine-3-carboxamide is sourced from PubChem (CID 170179347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).