6-(2-fluoro-4-methoxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

C25H23FN4O5S — CID 121252532

IUPAC6-(2-fluoro-4-methoxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3ccn[nH]3)c(Oc3c(C)cc(C)cc3C)n2)c(F)c1
InChIInChI=1S/C25H23FN4O5S/c1-14-11-15(2)23(16(3)12-14)35-25-19(24(31)30-36(32,33)22-9-10-27-29-22)7-8-21(28-25)18-6-5-17(34-4)13-20(18)26/h5-13H,1-4H3,(H,27,29)(H,30,31)
InChIKeyFEMMNBUUJAWBBD-UHFFFAOYSA-N
MW510.55 g/mol
LogP4.46
Rot. Bonds7

About 6-(2-fluoro-4-methoxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

6-(2-fluoro-4-methoxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (PubChem CID 121252532) has the molecular formula C25H23FN4O5S and a molecular weight of 510.55 g/mol. Its IUPAC name is 6-(2-fluoro-4-methoxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-fluoro-4-methoxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
PubChem CID121252532
Molecular FormulaC25H23FN4O5S
Molecular Weight510.55 g/mol
Exact Mass510.14
IUPAC Name6-(2-fluoro-4-methoxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3ccn[nH]3)c(Oc3c(C)cc(C)cc3C)n2)c(F)c1
InChIInChI=1S/C25H23FN4O5S/c1-14-11-15(2)23(16(3)12-14)35-25-19(24(31)30-36(32,33)22-9-10-27-29-22)7-8-21(28-25)18-6-5-17(34-4)13-20(18)26/h5-13H,1-4H3,(H,27,29)(H,30,31)
InChIKeyFEMMNBUUJAWBBD-UHFFFAOYSA-N
XLogP4.46
TPSA123.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.55
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-4-methoxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The IUPAC name of 6-(2-fluoro-4-methoxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (CID 121252532) is 6-(2-fluoro-4-methoxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-fluoro-4-methoxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The canonical SMILES for 6-(2-fluoro-4-methoxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is COc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3ccn[nH]3)c(Oc3c(C)cc(C)cc3C)n2)c(F)c1.
What is the InChIKey of 6-(2-fluoro-4-methoxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The InChIKey is FEMMNBUUJAWBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O5S/c1-14-11-15(2)23(16(3)12-14)35-25-19(24(31)30-36(32,33)22-9-10-27-29-22)7-8-21(28-25)18-6-5-17(34-4)13-20(18)26/h5-13H,1-4H3,(H,27,29)(H,30,31).
What are the key properties of 6-(2-fluoro-4-methoxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
6-(2-fluoro-4-methoxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide has a molecular weight of 510.55 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-4-methoxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 121252532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).