N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide

C27H32F4N4O5 — CID 155160607

About N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide

N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide (PubChem CID 155160607) has the molecular formula C27H32F4N4O5 and a molecular weight of 568.57 g/mol. Its IUPAC name is N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

• Compound Name: N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
• PubChem CID: 155160607
• Molecular Formula: C27H32F4N4O5
• Molecular Weight: 568.57 g/mol
• Exact Mass: 568.23
• IUPAC Name: N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
• SMILES: Cc1cc(F)c(NC(=O)N2CCC3(C2)OCCC3C(F)(F)F)cc1-c1cc(OCCO)nc(N2CCOCC2)c1
• InChI: InChI=1S/C27H32F4N4O5/c1-17-12-20(28)21(32-25(37)35-4-3-26(16-35)22(2-8-40-26)27(29,30)31)15-19(17)18-13-23(34-5-9-38-10-6-34)33-24(14-18)39-11-7-36/h12-15,22,36H,2-11,16H2,1H3,(H,32,37)
• InChIKey: AAEDDIRUVAWDDG-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 96.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	568.57
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide?

The IUPAC name of N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide (CID 155160607) is N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide.

What is the SMILES notation for N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide?

The canonical SMILES for N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide is Cc1cc(F)c(NC(=O)N2CCC3(C2)OCCC3C(F)(F)F)cc1-c1cc(OCCO)nc(N2CCOCC2)c1.

What is the InChIKey of N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide?

The InChIKey is AAEDDIRUVAWDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F4N4O5/c1-17-12-20(28)21(32-25(37)35-4-3-26(16-35)22(2-8-40-26)27(29,30)31)15-19(17)18-13-23(34-5-9-38-10-6-34)33-24(14-18)39-11-7-36/h12-15,22,36H,2-11,16H2,1H3,(H,32,37).

What are the key properties of N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide?

N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide has a molecular weight of 568.57 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 155160607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).