acetic acid;2-ethoxyacetyl chloride;1-ethoxy-3-[[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]amino]propan-2-one;3-(ethoxymethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane

C54H67ClF12N14O10 — CID 160741714

About acetic acid;2-ethoxyacetyl chloride;1-ethoxy-3-[[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]amino]propan-2-one;3-(ethoxymethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane

acetic acid;2-ethoxyacetyl chloride;1-ethoxy-3-[[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]amino]propan-2-one;3-(ethoxymethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane (PubChem CID 160741714) has the molecular formula C54H67ClF12N14O10 and a molecular weight of 1335.65 g/mol. Its IUPAC name is acetic acid;2-ethoxyacetyl chloride;1-ethoxy-3-[[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]amino]propan-2-one;3-(ethoxymethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane.

Molecular Properties

• Compound Name: acetic acid;2-ethoxyacetyl chloride;1-ethoxy-3-[[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]amino]propan-2-one;3-(ethoxymethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane
• PubChem CID: 160741714
• Molecular Formula: C54H67ClF12N14O10
• Molecular Weight: 1335.65 g/mol
• Exact Mass: 1334.47
• IUPAC Name: acetic acid;2-ethoxyacetyl chloride;1-ethoxy-3-[[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]amino]propan-2-one;3-(ethoxymethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane
• SMILES: C.C.C.CC(=O)O.CCOCC(=O)CNc1cnc(-c2cnc(O[C@@H](C)C(F)(F)F)c(F)c2)cn1.CCOCC(=O)Cl.CCOCc1nnc2cnc(-c3cnc(O[C@@H](C)C(F)(F)F)c(F)c3)cn12.C[C@H](Oc1ncc(-c2cnc(NN)cn2)cc1F)C(F)(F)F
• InChI: InChI=1S/C17H18F4N4O3.C16H15F4N5O2.C12H11F4N5O.C4H7ClO2.C2H4O2.3CH4/c1-3-27-9-12(26)6-23-15-8-22-14(7-24-15)11-4-13(18)16(25-5-11)28-10(2)17(19,20)21;1-3-26-8-14-24-23-13-6-21-12(7-25(13)14)10-4-11(17)15(22-5-10)27-9(2)16(18,19)20;1-6(12(14,15)16)22-11-8(13)2-7(3-20-11)9-4-19-10(21-17)5-18-9;1-2-7-3-4(5)6;1-2(3)4;;;/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,23,24);4-7,9H,3,8H2,1-2H3;2-6H,17H2,1H3,(H,19,21);2-3H2,1H3;1H3,(H,3,4);3*1H4/t10-;9-;6-;;;;;/m000...../s1
• InChIKey: DUNQTMGBYFOSRF-VMYNJJKISA-N
• XLogP: 11.30
• TPSA: 310.21 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 22
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1335.65
LogP ≤ 5	11.30
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-ethoxyacetyl chloride;1-ethoxy-3-[[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]amino]propan-2-one;3-(ethoxymethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane?

The IUPAC name of acetic acid;2-ethoxyacetyl chloride;1-ethoxy-3-[[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]amino]propan-2-one;3-(ethoxymethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane (CID 160741714) is acetic acid;2-ethoxyacetyl chloride;1-ethoxy-3-[[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]amino]propan-2-one;3-(ethoxymethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane.

What is the SMILES notation for acetic acid;2-ethoxyacetyl chloride;1-ethoxy-3-[[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]amino]propan-2-one;3-(ethoxymethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane?

The canonical SMILES for acetic acid;2-ethoxyacetyl chloride;1-ethoxy-3-[[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]amino]propan-2-one;3-(ethoxymethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane is C.C.C.CC(=O)O.CCOCC(=O)CNc1cnc(-c2cnc(O[C@@H](C)C(F)(F)F)c(F)c2)cn1.CCOCC(=O)Cl.CCOCc1nnc2cnc(-c3cnc(O[C@@H](C)C(F)(F)F)c(F)c3)cn12.C[C@H](Oc1ncc(-c2cnc(NN)cn2)cc1F)C(F)(F)F.

What is the InChIKey of acetic acid;2-ethoxyacetyl chloride;1-ethoxy-3-[[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]amino]propan-2-one;3-(ethoxymethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane?

The InChIKey is DUNQTMGBYFOSRF-VMYNJJKISA-N. The full InChI is InChI=1S/C17H18F4N4O3.C16H15F4N5O2.C12H11F4N5O.C4H7ClO2.C2H4O2.3CH4/c1-3-27-9-12(26)6-23-15-8-22-14(7-24-15)11-4-13(18)16(25-5-11)28-10(2)17(19,20)21;1-3-26-8-14-24-23-13-6-21-12(7-25(13)14)10-4-11(17)15(22-5-10)27-9(2)16(18,19)20;1-6(12(14,15)16)22-11-8(13)2-7(3-20-11)9-4-19-10(21-17)5-18-9;1-2-7-3-4(5)6;1-2(3)4;;;/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,23,24);4-7,9H,3,8H2,1-2H3;2-6H,17H2,1H3,(H,19,21);2-3H2,1H3;1H3,(H,3,4);3*1H4/t10-;9-;6-;;;;;/m000...../s1.

What are the key properties of acetic acid;2-ethoxyacetyl chloride;1-ethoxy-3-[[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]amino]propan-2-one;3-(ethoxymethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane?

acetic acid;2-ethoxyacetyl chloride;1-ethoxy-3-[[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]amino]propan-2-one;3-(ethoxymethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane has a molecular weight of 1335.65 g/mol, XLogP of 11.30, 22 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;2-ethoxyacetyl chloride;1-ethoxy-3-[[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]amino]propan-2-one;3-(ethoxymethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane is sourced from PubChem (CID 160741714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).