N-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(2-fluoro-6-oxo-1-pyridinyl)pyridine-3-carboxamide;ethane

C27H25F3N6O3S — CID 177234966

About N-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(2-fluoro-6-oxo-1-pyridinyl)pyridine-3-carboxamide;ethane

N-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(2-fluoro-6-oxo-1-pyridinyl)pyridine-3-carboxamide;ethane (PubChem CID 177234966) has the molecular formula C27H25F3N6O3S and a molecular weight of 570.60 g/mol. Its IUPAC name is N-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(2-fluoro-6-oxo-1-pyridinyl)pyridine-3-carboxamide;ethane.

Molecular Properties

• Compound Name: N-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(2-fluoro-6-oxo-1-pyridinyl)pyridine-3-carboxamide;ethane
• PubChem CID: 177234966
• Molecular Formula: C27H25F3N6O3S
• Molecular Weight: 570.60 g/mol
• Exact Mass: 570.17
• IUPAC Name: N-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(2-fluoro-6-oxo-1-pyridinyl)pyridine-3-carboxamide;ethane
• SMILES: CC.COc1cnc(C(F)F)cc1-c1cc(-n2c(F)cccc2=O)ncc1C(=O)NC1=NNC(C#CC2CC2)S1
• InChI: InChI=1S/C25H19F3N6O3S.C2H6/c1-37-18-12-29-17(23(27)28)9-15(18)14-10-20(34-19(26)3-2-4-22(34)35)30-11-16(14)24(36)31-25-33-32-21(38-25)8-7-13-5-6-13;1-2/h2-4,9-13,21,23,32H,5-6H2,1H3,(H,31,33,36);1-2H3
• InChIKey: MQEXFNADGTXCAO-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 110.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.60
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(2-fluoro-6-oxo-1-pyridinyl)pyridine-3-carboxamide;ethane?

The IUPAC name of N-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(2-fluoro-6-oxo-1-pyridinyl)pyridine-3-carboxamide;ethane (CID 177234966) is N-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(2-fluoro-6-oxo-1-pyridinyl)pyridine-3-carboxamide;ethane.

What is the SMILES notation for N-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(2-fluoro-6-oxo-1-pyridinyl)pyridine-3-carboxamide;ethane?

The canonical SMILES for N-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(2-fluoro-6-oxo-1-pyridinyl)pyridine-3-carboxamide;ethane is CC.COc1cnc(C(F)F)cc1-c1cc(-n2c(F)cccc2=O)ncc1C(=O)NC1=NNC(C#CC2CC2)S1.

What is the InChIKey of N-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(2-fluoro-6-oxo-1-pyridinyl)pyridine-3-carboxamide;ethane?

The InChIKey is MQEXFNADGTXCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N6O3S.C2H6/c1-37-18-12-29-17(23(27)28)9-15(18)14-10-20(34-19(26)3-2-4-22(34)35)30-11-16(14)24(36)31-25-33-32-21(38-25)8-7-13-5-6-13;1-2/h2-4,9-13,21,23,32H,5-6H2,1H3,(H,31,33,36);1-2H3.

What are the key properties of N-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(2-fluoro-6-oxo-1-pyridinyl)pyridine-3-carboxamide;ethane?

N-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(2-fluoro-6-oxo-1-pyridinyl)pyridine-3-carboxamide;ethane has a molecular weight of 570.60 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(2-fluoro-6-oxo-1-pyridinyl)pyridine-3-carboxamide;ethane is sourced from PubChem (CID 177234966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).