6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide

C20H23F4N7O4 — CID 154642207

IUPAC6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3c(C)nn(C)c3C)cc2F)c1=O
InChIInChI=1S/C20H23F4N7O4/c1-6-30-14(8-32)28-31(19(30)34)16-13(21)7-12(18(26-16)35-11(4)20(22,23)24)17(33)25-15-9(2)27-29(5)10(15)3/h7,11,32H,6,8H2,1-5H3,(H,25,33)/t11-/m0/s1
InChIKeyRRCVSSGAESVPHK-NSHDSACASA-N
MW501.44 g/mol
LogP2.01
Rot. Bonds7

About 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide

6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide (PubChem CID 154642207) has the molecular formula C20H23F4N7O4 and a molecular weight of 501.44 g/mol. Its IUPAC name is 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide
PubChem CID154642207
Molecular FormulaC20H23F4N7O4
Molecular Weight501.44 g/mol
Exact Mass501.17
IUPAC Name6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3c(C)nn(C)c3C)cc2F)c1=O
InChIInChI=1S/C20H23F4N7O4/c1-6-30-14(8-32)28-31(19(30)34)16-13(21)7-12(18(26-16)35-11(4)20(22,23)24)17(33)25-15-9(2)27-29(5)10(15)3/h7,11,32H,6,8H2,1-5H3,(H,25,33)/t11-/m0/s1
InChIKeyRRCVSSGAESVPHK-NSHDSACASA-N
XLogP2.01
TPSA129.09 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.44
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

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Launch Full Analysis

Related Compounds

N-(1,4-dimethyl-2-oxo-3-pyridinyl)-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 154993184
N-(4-chloro-2-methyl-3-pyridinyl)-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 154642133
N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide
CID 154983963
6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(2-fluorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide
CID 154983968
6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(2-methoxy-5-methyl-4-pyridinyl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide
CID 154642116
6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(3-fluoro-6-methoxy-2-pyridinyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide
CID 154983895
6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(1,2-thiazol-4-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide
CID 154642312
N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-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 154642178
N-(3-chloro-5-methoxy-2-pyridinyl)-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 154642227
N-(5-cyclopropyl-1H-pyrazol-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 154642258
6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(3-methoxypyrazin-2-yl)-2-[(1S)-2,2,2-trifluoro-1-iodoethoxy]pyridine-3-carboxamide
CID 162616881
4-ethyl-2-[3-fluoro-5-[2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetyl]-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-2-pyridinyl]-5-(hydroxymethyl)-1,2,4-triazol-3-one
CID 165077609

Frequently Asked Questions

What is the IUPAC name of 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide (CID 154642207) is 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide is CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3c(C)nn(C)c3C)cc2F)c1=O.
What is the InChIKey of 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide?
The InChIKey is RRCVSSGAESVPHK-NSHDSACASA-N. The full InChI is InChI=1S/C20H23F4N7O4/c1-6-30-14(8-32)28-31(19(30)34)16-13(21)7-12(18(26-16)35-11(4)20(22,23)24)17(33)25-15-9(2)27-29(5)10(15)3/h7,11,32H,6,8H2,1-5H3,(H,25,33)/t11-/m0/s1.
What are the key properties of 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide?
6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide has a molecular weight of 501.44 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 154642207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).