2-(6-azaspiro[2.5]octan-6-yl)-N-(6-morpholin-4-yl-2-pyridinyl)-6-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide

C25H30F3N5O4 — CID 154962897

About 2-(6-azaspiro[2.5]octan-6-yl)-N-(6-morpholin-4-yl-2-pyridinyl)-6-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide

2-(6-azaspiro[2.5]octan-6-yl)-N-(6-morpholin-4-yl-2-pyridinyl)-6-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide (PubChem CID 154962897) has the molecular formula C25H30F3N5O4 and a molecular weight of 521.54 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-N-(6-morpholin-4-yl-2-pyridinyl)-6-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-(6-azaspiro[2.5]octan-6-yl)-N-(6-morpholin-4-yl-2-pyridinyl)-6-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide
• PubChem CID: 154962897
• Molecular Formula: C25H30F3N5O4
• Molecular Weight: 521.54 g/mol
• Exact Mass: 521.22
• IUPAC Name: 2-(6-azaspiro[2.5]octan-6-yl)-N-(6-morpholin-4-yl-2-pyridinyl)-6-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide
• SMILES: O=C(Nc1cccc(N2CCOCC2)n1)c1ccc([C@](O)(CO)C(F)(F)F)nc1N1CCC2(CC1)CC2
• InChI: InChI=1S/C25H30F3N5O4/c26-25(27,28)24(36,16-34)18-5-4-17(21(29-18)33-10-8-23(6-7-23)9-11-33)22(35)31-19-2-1-3-20(30-19)32-12-14-37-15-13-32/h1-5,34,36H,6-16H2,(H,30,31,35)/t24-/m1/s1
• InChIKey: LXBQBHZVCOAZMX-XMMPIXPASA-N
• XLogP: 2.69
• TPSA: 111.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.54
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-(6-morpholin-4-yl-2-pyridinyl)-6-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide?

The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-(6-morpholin-4-yl-2-pyridinyl)-6-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide (CID 154962897) is 2-(6-azaspiro[2.5]octan-6-yl)-N-(6-morpholin-4-yl-2-pyridinyl)-6-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide.

What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-N-(6-morpholin-4-yl-2-pyridinyl)-6-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide?

The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-N-(6-morpholin-4-yl-2-pyridinyl)-6-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide is O=C(Nc1cccc(N2CCOCC2)n1)c1ccc([C@](O)(CO)C(F)(F)F)nc1N1CCC2(CC1)CC2.

What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-N-(6-morpholin-4-yl-2-pyridinyl)-6-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide?

The InChIKey is LXBQBHZVCOAZMX-XMMPIXPASA-N. The full InChI is InChI=1S/C25H30F3N5O4/c26-25(27,28)24(36,16-34)18-5-4-17(21(29-18)33-10-8-23(6-7-23)9-11-33)22(35)31-19-2-1-3-20(30-19)32-12-14-37-15-13-32/h1-5,34,36H,6-16H2,(H,30,31,35)/t24-/m1/s1.

What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-N-(6-morpholin-4-yl-2-pyridinyl)-6-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide?

2-(6-azaspiro[2.5]octan-6-yl)-N-(6-morpholin-4-yl-2-pyridinyl)-6-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide has a molecular weight of 521.54 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-azaspiro[2.5]octan-6-yl)-N-(6-morpholin-4-yl-2-pyridinyl)-6-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 154962897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).