6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylphenoxy)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide;molecular hydrogen

C26H29FN4O5S — CID 161026528

About 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylphenoxy)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide;molecular hydrogen

6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylphenoxy)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide;molecular hydrogen (PubChem CID 161026528) has the molecular formula C26H29FN4O5S and a molecular weight of 528.61 g/mol. Its IUPAC name is 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylphenoxy)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylphenoxy)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide;molecular hydrogen
• PubChem CID: 161026528
• Molecular Formula: C26H29FN4O5S
• Molecular Weight: 528.61 g/mol
• Exact Mass: 528.18
• IUPAC Name: 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylphenoxy)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide;molecular hydrogen
• SMILES: Cc1ccccc1Oc1nc(-c2cc(F)cc(OCC(C)C)c2)ccc1C(=O)NS(=O)(=O)c1ccn[nH]1.[H][H].[H][H]
• InChI: InChI=1S/C26H25FN4O5S.2H2/c1-16(2)15-35-20-13-18(12-19(27)14-20)22-9-8-21(25(32)31-37(33,34)24-10-11-28-30-24)26(29-22)36-23-7-5-4-6-17(23)3;;/h4-14,16H,15H2,1-3H3,(H,28,30)(H,31,32);2*1H
• InChIKey: TZAYLDRYQFSCJB-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 123.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.61
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylphenoxy)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide;molecular hydrogen?

The IUPAC name of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylphenoxy)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide;molecular hydrogen (CID 161026528) is 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylphenoxy)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide;molecular hydrogen.

What is the SMILES notation for 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylphenoxy)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide;molecular hydrogen?

The canonical SMILES for 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylphenoxy)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide;molecular hydrogen is Cc1ccccc1Oc1nc(-c2cc(F)cc(OCC(C)C)c2)ccc1C(=O)NS(=O)(=O)c1ccn[nH]1.[H][H].[H][H].

What is the InChIKey of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylphenoxy)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide;molecular hydrogen?

The InChIKey is TZAYLDRYQFSCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O5S.2H2/c1-16(2)15-35-20-13-18(12-19(27)14-20)22-9-8-21(25(32)31-37(33,34)24-10-11-28-30-24)26(29-22)36-23-7-5-4-6-17(23)3;;/h4-14,16H,15H2,1-3H3,(H,28,30)(H,31,32);2*1H.

What are the key properties of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylphenoxy)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide;molecular hydrogen?

6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylphenoxy)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide;molecular hydrogen has a molecular weight of 528.61 g/mol, XLogP of 5.36, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylphenoxy)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 161026528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).