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

C25H32FN5O4S — CID 161451288

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

2-(2,2-dimethylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide;molecular hydrogen (PubChem CID 161451288) has the molecular formula C25H32FN5O4S and a molecular weight of 517.63 g/mol. Its IUPAC name is 2-(2,2-dimethylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 2-(2,2-dimethylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide;molecular hydrogen
• PubChem CID: 161451288
• Molecular Formula: C25H32FN5O4S
• Molecular Weight: 517.63 g/mol
• Exact Mass: 517.22
• IUPAC Name: 2-(2,2-dimethylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide;molecular hydrogen
• SMILES: CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3ccn[nH]3)c(N3CCCC3(C)C)n2)c1.[H][H]
• InChI: InChI=1S/C25H30FN5O4S.H2/c1-16(2)15-35-19-13-17(12-18(26)14-19)21-7-6-20(23(28-21)31-11-5-9-25(31,3)4)24(32)30-36(33,34)22-8-10-27-29-22;/h6-8,10,12-14,16H,5,9,11,15H2,1-4H3,(H,27,29)(H,30,32);1H
• InChIKey: WAOGUCWJEQHZBA-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 117.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.63
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-(2,2-dimethylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide;molecular hydrogen (CID 161451288) is 2-(2,2-dimethylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide;molecular hydrogen.

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

The canonical SMILES for 2-(2,2-dimethylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide;molecular hydrogen is CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3ccn[nH]3)c(N3CCCC3(C)C)n2)c1.[H][H].

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

The InChIKey is WAOGUCWJEQHZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O4S.H2/c1-16(2)15-35-19-13-17(12-18(26)14-19)21-7-6-20(23(28-21)31-11-5-9-25(31,3)4)24(32)30-36(33,34)22-8-10-27-29-22;/h6-8,10,12-14,16H,5,9,11,15H2,1-4H3,(H,27,29)(H,30,32);1H.

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

2-(2,2-dimethylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide;molecular hydrogen has a molecular weight of 517.63 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,2-dimethylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 161451288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).