potassium;[6-[5-[(Z)-2-aminoethenyl]-6-oxo-2,3-dihydropyrazin-1-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-3-pyridinyl]-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]azanide;ethane

C27H29F2KN8O2S — CID 177234838

IUPACpotassium;[6-[5-[(Z)-2-aminoethenyl]-6-oxo-2,3-dihydropyrazin-1-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-3-pyridinyl]-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]azanide;ethane
SMILESCC.COc1cnc(C(F)F)cc1-c1cc(N2CCN=C(/C=C\N)C2=O)ncc1[N-]C1=NNC(C#CC2CC2)S1.[K+]
InChIInChI=1S/C25H24F2N8O2S.C2H6.K/c1-37-20-13-30-18(23(26)27)10-16(20)15-11-21(35-9-8-29-17(6-7-28)24(35)36)31-12-19(15)32-25-34-33-22(38-25)5-4-14-2-3-14;1-2;/h6-7,10-14,22-23H,2-3,8-9H2,1H3,(H4,28,29,30,31,32,33,34,36);1-2H3;/q;;+1/p-1
InChIKeyXYAUSFUIRAXSGQ-UHFFFAOYSA-M
MW606.74 g/mol
LogP1.73
Rot. Bonds6

About potassium;[6-[5-[(Z)-2-aminoethenyl]-6-oxo-2,3-dihydropyrazin-1-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-3-pyridinyl]-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]azanide;ethane

potassium;[6-[5-[(Z)-2-aminoethenyl]-6-oxo-2,3-dihydropyrazin-1-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-3-pyridinyl]-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]azanide;ethane (PubChem CID 177234838) has the molecular formula C27H29F2KN8O2S and a molecular weight of 606.74 g/mol. Its IUPAC name is potassium;[6-[5-[(Z)-2-aminoethenyl]-6-oxo-2,3-dihydropyrazin-1-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-3-pyridinyl]-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]azanide;ethane.

Molecular Properties

Compound Namepotassium;[6-[5-[(Z)-2-aminoethenyl]-6-oxo-2,3-dihydropyrazin-1-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-3-pyridinyl]-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]azanide;ethane
PubChem CID177234838
Molecular FormulaC27H29F2KN8O2S
Molecular Weight606.74 g/mol
Exact Mass606.17
IUPAC Namepotassium;[6-[5-[(Z)-2-aminoethenyl]-6-oxo-2,3-dihydropyrazin-1-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-3-pyridinyl]-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]azanide;ethane
SMILESCC.COc1cnc(C(F)F)cc1-c1cc(N2CCN=C(/C=C\N)C2=O)ncc1[N-]C1=NNC(C#CC2CC2)S1.[K+]
InChIInChI=1S/C25H24F2N8O2S.C2H6.K/c1-37-20-13-30-18(23(26)27)10-16(20)15-11-21(35-9-8-29-17(6-7-28)24(35)36)31-12-19(15)32-25-34-33-22(38-25)5-4-14-2-3-14;1-2;/h6-7,10-14,22-23H,2-3,8-9H2,1H3,(H4,28,29,30,31,32,33,34,36);1-2H3;/q;;+1/p-1
InChIKeyXYAUSFUIRAXSGQ-UHFFFAOYSA-M
XLogP1.73
TPSA132.19 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500606.74
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze potassium;[6-[5-[(Z)-2-aminoethenyl]-6-oxo-2,3-dihydropyrazin-1-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-3-pyridinyl]-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]azanide;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium;[6-[5-[(Z)-2-aminoethenyl]-6-oxo-2,3-dihydropyrazin-1-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-3-pyridinyl]-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]azanide;ethane?
The IUPAC name of potassium;[6-[5-[(Z)-2-aminoethenyl]-6-oxo-2,3-dihydropyrazin-1-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-3-pyridinyl]-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]azanide;ethane (CID 177234838) is potassium;[6-[5-[(Z)-2-aminoethenyl]-6-oxo-2,3-dihydropyrazin-1-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-3-pyridinyl]-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]azanide;ethane.
What is the SMILES notation for potassium;[6-[5-[(Z)-2-aminoethenyl]-6-oxo-2,3-dihydropyrazin-1-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-3-pyridinyl]-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]azanide;ethane?
The canonical SMILES for potassium;[6-[5-[(Z)-2-aminoethenyl]-6-oxo-2,3-dihydropyrazin-1-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-3-pyridinyl]-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]azanide;ethane is CC.COc1cnc(C(F)F)cc1-c1cc(N2CCN=C(/C=C\N)C2=O)ncc1[N-]C1=NNC(C#CC2CC2)S1.[K+].
What is the InChIKey of potassium;[6-[5-[(Z)-2-aminoethenyl]-6-oxo-2,3-dihydropyrazin-1-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-3-pyridinyl]-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]azanide;ethane?
The InChIKey is XYAUSFUIRAXSGQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H24F2N8O2S.C2H6.K/c1-37-20-13-30-18(23(26)27)10-16(20)15-11-21(35-9-8-29-17(6-7-28)24(35)36)31-12-19(15)32-25-34-33-22(38-25)5-4-14-2-3-14;1-2;/h6-7,10-14,22-23H,2-3,8-9H2,1H3,(H4,28,29,30,31,32,33,34,36);1-2H3;/q;;+1/p-1.
What are the key properties of potassium;[6-[5-[(Z)-2-aminoethenyl]-6-oxo-2,3-dihydropyrazin-1-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-3-pyridinyl]-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]azanide;ethane?
potassium;[6-[5-[(Z)-2-aminoethenyl]-6-oxo-2,3-dihydropyrazin-1-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-3-pyridinyl]-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]azanide;ethane has a molecular weight of 606.74 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;[6-[5-[(Z)-2-aminoethenyl]-6-oxo-2,3-dihydropyrazin-1-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-3-pyridinyl]-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]azanide;ethane is sourced from PubChem (CID 177234838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).