N-(3,5-dimethyl-1,2-thiazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide

C19H20F4N6O4S — CID 154642184

IUPACN-(3,5-dimethyl-1,2-thiazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide
SMILESCCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3c(C)nsc3C)cc2F)c1=O
InChIInChI=1S/C19H20F4N6O4S/c1-5-28-13(7-30)26-29(18(28)32)15-12(20)6-11(17(25-15)33-10(4)19(21,22)23)16(31)24-14-8(2)27-34-9(14)3/h6,10,30H,5,7H2,1-4H3,(H,24,31)/t10-/m0/s1
InChIKeyOMIRVHVUHREZCV-JTQLQIEISA-N
MW504.47 g/mol
LogP2.74
Rot. Bonds7

About N-(3,5-dimethyl-1,2-thiazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide

N-(3,5-dimethyl-1,2-thiazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide (PubChem CID 154642184) has the molecular formula C19H20F4N6O4S and a molecular weight of 504.47 g/mol. Its IUPAC name is N-(3,5-dimethyl-1,2-thiazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1,2-thiazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide
PubChem CID154642184
Molecular FormulaC19H20F4N6O4S
Molecular Weight504.47 g/mol
Exact Mass504.12
IUPAC NameN-(3,5-dimethyl-1,2-thiazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide
SMILESCCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3c(C)nsc3C)cc2F)c1=O
InChIInChI=1S/C19H20F4N6O4S/c1-5-28-13(7-30)26-29(18(28)32)15-12(20)6-11(17(25-15)33-10(4)19(21,22)23)16(31)24-14-8(2)27-34-9(14)3/h6,10,30H,5,7H2,1-4H3,(H,24,31)/t10-/m0/s1
InChIKeyOMIRVHVUHREZCV-JTQLQIEISA-N
XLogP2.74
TPSA124.16 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.47
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-(3,5-dimethyl-1,2-thiazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1,2-thiazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide?
The IUPAC name of N-(3,5-dimethyl-1,2-thiazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide (CID 154642184) is N-(3,5-dimethyl-1,2-thiazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-1,2-thiazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-1,2-thiazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide is CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3c(C)nsc3C)cc2F)c1=O.
What is the InChIKey of N-(3,5-dimethyl-1,2-thiazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide?
The InChIKey is OMIRVHVUHREZCV-JTQLQIEISA-N. The full InChI is InChI=1S/C19H20F4N6O4S/c1-5-28-13(7-30)26-29(18(28)32)15-12(20)6-11(17(25-15)33-10(4)19(21,22)23)16(31)24-14-8(2)27-34-9(14)3/h6,10,30H,5,7H2,1-4H3,(H,24,31)/t10-/m0/s1.
What are the key properties of N-(3,5-dimethyl-1,2-thiazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide?
N-(3,5-dimethyl-1,2-thiazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide has a molecular weight of 504.47 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1,2-thiazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 154642184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).