6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methoxy-4-methylpiperidin-1-yl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide

C26H32FN5O5S — CID 121252879

About 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methoxy-4-methylpiperidin-1-yl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide

6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methoxy-4-methylpiperidin-1-yl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide (PubChem CID 121252879) has the molecular formula C26H32FN5O5S and a molecular weight of 545.64 g/mol. Its IUPAC name is 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methoxy-4-methylpiperidin-1-yl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methoxy-4-methylpiperidin-1-yl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide
• PubChem CID: 121252879
• Molecular Formula: C26H32FN5O5S
• Molecular Weight: 545.64 g/mol
• Exact Mass: 545.21
• IUPAC Name: 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methoxy-4-methylpiperidin-1-yl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide
• SMILES: COC1(C)CCN(c2nc(-c3cc(F)cc(OCC(C)C)c3)ccc2C(=O)NS(=O)(=O)c2ccn[nH]2)CC1
• InChI: InChI=1S/C26H32FN5O5S/c1-17(2)16-37-20-14-18(13-19(27)15-20)22-6-5-21(25(33)31-38(34,35)23-7-10-28-30-23)24(29-22)32-11-8-26(3,36-4)9-12-32/h5-7,10,13-15,17H,8-9,11-12,16H2,1-4H3,(H,28,30)(H,31,33)
• InChIKey: SZKUTDOKSVUFON-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 126.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.64
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methoxy-4-methylpiperidin-1-yl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide?

The IUPAC name of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methoxy-4-methylpiperidin-1-yl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide (CID 121252879) is 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methoxy-4-methylpiperidin-1-yl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide.

What is the SMILES notation for 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methoxy-4-methylpiperidin-1-yl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide?

The canonical SMILES for 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methoxy-4-methylpiperidin-1-yl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide is COC1(C)CCN(c2nc(-c3cc(F)cc(OCC(C)C)c3)ccc2C(=O)NS(=O)(=O)c2ccn[nH]2)CC1.

What is the InChIKey of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methoxy-4-methylpiperidin-1-yl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide?

The InChIKey is SZKUTDOKSVUFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN5O5S/c1-17(2)16-37-20-14-18(13-19(27)15-20)22-6-5-21(25(33)31-38(34,35)23-7-10-28-30-23)24(29-22)32-11-8-26(3,36-4)9-12-32/h5-7,10,13-15,17H,8-9,11-12,16H2,1-4H3,(H,28,30)(H,31,33).

What are the key properties of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methoxy-4-methylpiperidin-1-yl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide?

6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methoxy-4-methylpiperidin-1-yl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide has a molecular weight of 545.64 g/mol, XLogP of 3.77, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methoxy-4-methylpiperidin-1-yl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide is sourced from PubChem (CID 121252879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).