N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxamide

C25H28F4N4O5 — CID 155160630

About N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxamide

N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxamide (PubChem CID 155160630) has the molecular formula C25H28F4N4O5 and a molecular weight of 540.51 g/mol. Its IUPAC name is N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxamide
• PubChem CID: 155160630
• Molecular Formula: C25H28F4N4O5
• Molecular Weight: 540.51 g/mol
• Exact Mass: 540.20
• IUPAC Name: N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxamide
• SMILES: Cc1cc(F)c(NC(=O)N2CC3CC2C(C(F)(F)F)O3)cc1-c1cc(OCCO)nc(N2CCOCC2)c1
• InChI: InChI=1S/C25H28F4N4O5/c1-14-8-18(26)19(30-24(35)33-13-16-11-20(33)23(38-16)25(27,28)29)12-17(14)15-9-21(32-2-5-36-6-3-32)31-22(10-15)37-7-4-34/h8-10,12,16,20,23,34H,2-7,11,13H2,1H3,(H,30,35)
• InChIKey: KSWYWJVRGKNWPW-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 96.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.51
LogP ≤ 5	3.34
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]-3-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxamide?

The IUPAC name of N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxamide (CID 155160630) is N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxamide.

What is the SMILES notation for N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxamide?

The canonical SMILES for N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxamide is Cc1cc(F)c(NC(=O)N2CC3CC2C(C(F)(F)F)O3)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]-3-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxamide?

The InChIKey is KSWYWJVRGKNWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F4N4O5/c1-14-8-18(26)19(30-24(35)33-13-16-11-20(33)23(38-16)25(27,28)29)12-17(14)15-9-21(32-2-5-36-6-3-32)31-22(10-15)37-7-4-34/h8-10,12,16,20,23,34H,2-7,11,13H2,1H3,(H,30,35).

What are the key properties of N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxamide?

N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxamide has a molecular weight of 540.51 g/mol, XLogP of 3.34, 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]-3-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxamide is sourced from PubChem (CID 155160630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).