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2-(2,4-dimethylphenoxy)-6-(3-fluoro-5-propan-2-yloxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide

C26H25FN4O5S — CID 121250923

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(2,4-dimethylphenoxy)-6-(3-fluoro-5-propan-2-yloxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide
SMILESCc1ccc(Oc2nc(-c3cc(F)cc(OC(C)C)c3)ccc2C(=O)NS(=O)(=O)c2ccn[nH]2)c(C)c1
InChIInChI=1S/C26H25FN4O5S/c1-15(2)35-20-13-18(12-19(27)14-20)22-7-6-21(25(32)31-37(33,34)24-9-10-28-30-24)26(29-22)36-23-8-5-16(3)11-17(23)4/h5-15H,1-4H3,(H,28,30)(H,31,32)
InChIKeyGFVXANDWZZGMIL-UHFFFAOYSA-N
MW524.57 g/mol
LogP4.93
Rot. Bonds8

About 2-(2,4-dimethylphenoxy)-6-(3-fluoro-5-propan-2-yloxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide

2-(2,4-dimethylphenoxy)-6-(3-fluoro-5-propan-2-yloxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide (PubChem CID 121250923) has the molecular formula C26H25FN4O5S and a molecular weight of 524.57 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-6-(3-fluoro-5-propan-2-yloxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-6-(3-fluoro-5-propan-2-yloxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide
PubChem CID121250923
Molecular FormulaC26H25FN4O5S
Molecular Weight524.57 g/mol
Exact Mass524.15
IUPAC Name2-(2,4-dimethylphenoxy)-6-(3-fluoro-5-propan-2-yloxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide
SMILESCc1ccc(Oc2nc(-c3cc(F)cc(OC(C)C)c3)ccc2C(=O)NS(=O)(=O)c2ccn[nH]2)c(C)c1
InChIInChI=1S/C26H25FN4O5S/c1-15(2)35-20-13-18(12-19(27)14-20)22-7-6-21(25(32)31-37(33,34)24-9-10-28-30-24)26(29-22)36-23-8-5-16(3)11-17(23)4/h5-15H,1-4H3,(H,28,30)(H,31,32)
InChIKeyGFVXANDWZZGMIL-UHFFFAOYSA-N
XLogP4.93
TPSA123.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.57
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-6-(3-fluoro-5-propan-2-yloxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-6-(3-fluoro-5-propan-2-yloxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide (CID 121250923) is 2-(2,4-dimethylphenoxy)-6-(3-fluoro-5-propan-2-yloxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-6-(3-fluoro-5-propan-2-yloxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-6-(3-fluoro-5-propan-2-yloxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide is Cc1ccc(Oc2nc(-c3cc(F)cc(OC(C)C)c3)ccc2C(=O)NS(=O)(=O)c2ccn[nH]2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-6-(3-fluoro-5-propan-2-yloxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide?
The InChIKey is GFVXANDWZZGMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O5S/c1-15(2)35-20-13-18(12-19(27)14-20)22-7-6-21(25(32)31-37(33,34)24-9-10-28-30-24)26(29-22)36-23-8-5-16(3)11-17(23)4/h5-15H,1-4H3,(H,28,30)(H,31,32).
What are the key properties of 2-(2,4-dimethylphenoxy)-6-(3-fluoro-5-propan-2-yloxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide?
2-(2,4-dimethylphenoxy)-6-(3-fluoro-5-propan-2-yloxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide has a molecular weight of 524.57 g/mol, XLogP of 4.93, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-6-(3-fluoro-5-propan-2-yloxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide is sourced from PubChem (CID 121250923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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