acetic acid;2,2-difluorocyclopropane-1-carboxylic acid;1-(2,2-difluorocyclopropyl)-2-[[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane

C56H58F18N14O8 — CID 159820568

About acetic acid;2,2-difluorocyclopropane-1-carboxylic acid;1-(2,2-difluorocyclopropyl)-2-[[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane

acetic acid;2,2-difluorocyclopropane-1-carboxylic acid;1-(2,2-difluorocyclopropyl)-2-[[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane (PubChem CID 159820568) has the molecular formula C56H58F18N14O8 and a molecular weight of 1397.13 g/mol. Its IUPAC name is acetic acid;2,2-difluorocyclopropane-1-carboxylic acid;1-(2,2-difluorocyclopropyl)-2-[[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane.

Molecular Properties

• Compound Name: acetic acid;2,2-difluorocyclopropane-1-carboxylic acid;1-(2,2-difluorocyclopropyl)-2-[[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane
• PubChem CID: 159820568
• Molecular Formula: C56H58F18N14O8
• Molecular Weight: 1397.13 g/mol
• Exact Mass: 1396.43
• IUPAC Name: acetic acid;2,2-difluorocyclopropane-1-carboxylic acid;1-(2,2-difluorocyclopropyl)-2-[[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane
• SMILES: C.C.CC(=O)O.CC(C)(Oc1ncc(-c2cn3c(C4CC4(F)F)nnc3cn2)cc1F)C(F)(F)F.CC(C)(Oc1ncc(-c2cnc(NCC(=O)C3CC3(F)F)cn2)cc1F)C(F)(F)F.CC(C)(Oc1ncc(-c2cnc(NN)cn2)cc1F)C(F)(F)F.O=C(O)C1CC1(F)F
• InChI: InChI=1S/C18H16F6N4O2.C17H13F6N5O.C13H13F4N5O.C4H4F2O2.C2H4O2.2CH4/c1-16(2,18(22,23)24)30-15-11(19)3-9(5-28-15)12-6-26-14(8-25-12)27-7-13(29)10-4-17(10,20)21;1-15(2,17(21,22)23)29-14-10(18)3-8(5-25-14)11-7-28-12(6-24-11)26-27-13(28)9-4-16(9,19)20;1-12(2,13(15,16)17)23-11-8(14)3-7(4-21-11)9-5-20-10(22-18)6-19-9;5-4(6)1-2(4)3(7)8;1-2(3)4;;/h3,5-6,8,10H,4,7H2,1-2H3,(H,26,27);3,5-7,9H,4H2,1-2H3;3-6H,18H2,1-2H3,(H,20,22);2H,1H2,(H,7,8);1H3,(H,3,4);2*1H4
• InChIKey: LPAHSORJWGYBJV-UHFFFAOYSA-N
• XLogP: 12.97
• TPSA: 302.75 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1397.13
LogP ≤ 5	12.97
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'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;2,2-difluorocyclopropane-1-carboxylic acid;1-(2,2-difluorocyclopropyl)-2-[[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane?

The IUPAC name of acetic acid;2,2-difluorocyclopropane-1-carboxylic acid;1-(2,2-difluorocyclopropyl)-2-[[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane (CID 159820568) is acetic acid;2,2-difluorocyclopropane-1-carboxylic acid;1-(2,2-difluorocyclopropyl)-2-[[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane.

What is the SMILES notation for acetic acid;2,2-difluorocyclopropane-1-carboxylic acid;1-(2,2-difluorocyclopropyl)-2-[[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane?

The canonical SMILES for acetic acid;2,2-difluorocyclopropane-1-carboxylic acid;1-(2,2-difluorocyclopropyl)-2-[[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane is C.C.CC(=O)O.CC(C)(Oc1ncc(-c2cn3c(C4CC4(F)F)nnc3cn2)cc1F)C(F)(F)F.CC(C)(Oc1ncc(-c2cnc(NCC(=O)C3CC3(F)F)cn2)cc1F)C(F)(F)F.CC(C)(Oc1ncc(-c2cnc(NN)cn2)cc1F)C(F)(F)F.O=C(O)C1CC1(F)F.

What is the InChIKey of acetic acid;2,2-difluorocyclopropane-1-carboxylic acid;1-(2,2-difluorocyclopropyl)-2-[[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane?

The InChIKey is LPAHSORJWGYBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F6N4O2.C17H13F6N5O.C13H13F4N5O.C4H4F2O2.C2H4O2.2CH4/c1-16(2,18(22,23)24)30-15-11(19)3-9(5-28-15)12-6-26-14(8-25-12)27-7-13(29)10-4-17(10,20)21;1-15(2,17(21,22)23)29-14-10(18)3-8(5-25-14)11-7-28-12(6-24-11)26-27-13(28)9-4-16(9,19)20;1-12(2,13(15,16)17)23-11-8(14)3-7(4-21-11)9-5-20-10(22-18)6-19-9;5-4(6)1-2(4)3(7)8;1-2(3)4;;/h3,5-6,8,10H,4,7H2,1-2H3,(H,26,27);3,5-7,9H,4H2,1-2H3;3-6H,18H2,1-2H3,(H,20,22);2H,1H2,(H,7,8);1H3,(H,3,4);2*1H4.

What are the key properties of acetic acid;2,2-difluorocyclopropane-1-carboxylic acid;1-(2,2-difluorocyclopropyl)-2-[[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane?

acetic acid;2,2-difluorocyclopropane-1-carboxylic acid;1-(2,2-difluorocyclopropyl)-2-[[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane has a molecular weight of 1397.13 g/mol, XLogP of 12.97, 16 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;2,2-difluorocyclopropane-1-carboxylic acid;1-(2,2-difluorocyclopropyl)-2-[[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane is sourced from PubChem (CID 159820568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).