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

C26H25FN4O5S — CID 130203266

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

6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylphenoxy)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide (PubChem CID 130203266) has the molecular formula C26H25FN4O5S and a molecular weight of 524.57 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 Properties

• Compound Name: 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylphenoxy)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide
• PubChem CID: 130203266
• Molecular Formula: C26H25FN4O5S
• Molecular Weight: 524.57 g/mol
• Exact Mass: 524.15
• IUPAC Name: 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylphenoxy)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide
• SMILES: Cc1ccccc1Oc1nc(-c2cc(F)cc(OCC(C)C)c2)ccc1C(=O)NS(=O)(=O)c1ccn[nH]1
• InChI: InChI=1S/C26H25FN4O5S/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)
• InChIKey: KXBQWVZCWJYXMM-UHFFFAOYSA-N
• XLogP: 4.87
• TPSA: 123.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.57
LogP ≤ 5	4.87
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?

The IUPAC name of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylphenoxy)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide (CID 130203266) is 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylphenoxy)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide.

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

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

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

The InChIKey is KXBQWVZCWJYXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O5S/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).

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

6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylphenoxy)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide has a molecular weight of 524.57 g/mol, XLogP of 4.87, 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 is sourced from PubChem (CID 130203266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).