6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)-2-(3,3,4-trimethylpiperidin-1-yl)pyridine-3-carboxamide;molecular hydrogen

C27H36FN5O4S — CID 158590147

About 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)-2-(3,3,4-trimethylpiperidin-1-yl)pyridine-3-carboxamide;molecular hydrogen

6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)-2-(3,3,4-trimethylpiperidin-1-yl)pyridine-3-carboxamide;molecular hydrogen (PubChem CID 158590147) has the molecular formula C27H36FN5O4S and a molecular weight of 545.68 g/mol. Its IUPAC name is 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)-2-(3,3,4-trimethylpiperidin-1-yl)pyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)-2-(3,3,4-trimethylpiperidin-1-yl)pyridine-3-carboxamide;molecular hydrogen
• PubChem CID: 158590147
• Molecular Formula: C27H36FN5O4S
• Molecular Weight: 545.68 g/mol
• Exact Mass: 545.25
• IUPAC Name: 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)-2-(3,3,4-trimethylpiperidin-1-yl)pyridine-3-carboxamide;molecular hydrogen
• SMILES: CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3ccn[nH]3)c(N3CCC(C)C(C)(C)C3)n2)c1.[H][H]
• InChI: InChI=1S/C27H34FN5O4S.H2/c1-17(2)15-37-21-13-19(12-20(28)14-21)23-7-6-22(26(34)32-38(35,36)24-8-10-29-31-24)25(30-23)33-11-9-18(3)27(4,5)16-33;/h6-8,10,12-14,17-18H,9,11,15-16H2,1-5H3,(H,29,31)(H,32,34);1H
• InChIKey: HUIOSNLDTLNCSI-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 117.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.68
LogP ≤ 5	4.88
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]-N-(1H-pyrazol-5-ylsulfonyl)-2-(3,3,4-trimethylpiperidin-1-yl)pyridine-3-carboxamide;molecular hydrogen?

The IUPAC name of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)-2-(3,3,4-trimethylpiperidin-1-yl)pyridine-3-carboxamide;molecular hydrogen (CID 158590147) is 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)-2-(3,3,4-trimethylpiperidin-1-yl)pyridine-3-carboxamide;molecular hydrogen.

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

The canonical SMILES for 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)-2-(3,3,4-trimethylpiperidin-1-yl)pyridine-3-carboxamide;molecular hydrogen is CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3ccn[nH]3)c(N3CCC(C)C(C)(C)C3)n2)c1.[H][H].

What is the InChIKey of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)-2-(3,3,4-trimethylpiperidin-1-yl)pyridine-3-carboxamide;molecular hydrogen?

The InChIKey is HUIOSNLDTLNCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN5O4S.H2/c1-17(2)15-37-21-13-19(12-20(28)14-21)23-7-6-22(26(34)32-38(35,36)24-8-10-29-31-24)25(30-23)33-11-9-18(3)27(4,5)16-33;/h6-8,10,12-14,17-18H,9,11,15-16H2,1-5H3,(H,29,31)(H,32,34);1H.

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

6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)-2-(3,3,4-trimethylpiperidin-1-yl)pyridine-3-carboxamide;molecular hydrogen has a molecular weight of 545.68 g/mol, XLogP of 4.88, 8 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]-N-(1H-pyrazol-5-ylsulfonyl)-2-(3,3,4-trimethylpiperidin-1-yl)pyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 158590147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).