2-[(6-amino-2-pyridinyl)sulfonyl]-1-[2-(7-azaspiro[3.5]nonan-7-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-pyridinyl]ethanone;molecular hydrogen

C30H39FN4O4S — CID 167644063

About 2-[(6-amino-2-pyridinyl)sulfonyl]-1-[2-(7-azaspiro[3.5]nonan-7-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-pyridinyl]ethanone;molecular hydrogen

2-[(6-amino-2-pyridinyl)sulfonyl]-1-[2-(7-azaspiro[3.5]nonan-7-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-pyridinyl]ethanone;molecular hydrogen (PubChem CID 167644063) has the molecular formula C30H39FN4O4S and a molecular weight of 570.73 g/mol. Its IUPAC name is 2-[(6-amino-2-pyridinyl)sulfonyl]-1-[2-(7-azaspiro[3.5]nonan-7-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-pyridinyl]ethanone;molecular hydrogen.

Molecular Properties

• Compound Name: 2-[(6-amino-2-pyridinyl)sulfonyl]-1-[2-(7-azaspiro[3.5]nonan-7-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-pyridinyl]ethanone;molecular hydrogen
• PubChem CID: 167644063
• Molecular Formula: C30H39FN4O4S
• Molecular Weight: 570.73 g/mol
• Exact Mass: 570.27
• IUPAC Name: 2-[(6-amino-2-pyridinyl)sulfonyl]-1-[2-(7-azaspiro[3.5]nonan-7-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-pyridinyl]ethanone;molecular hydrogen
• SMILES: CC(C)COc1cc(F)cc(-c2ccc(C(=O)CS(=O)(=O)c3cccc(N)n3)c(N3CCC4(CCC4)CC3)n2)c1.[H][H].[H][H]
• InChI: InChI=1S/C30H35FN4O4S.2H2/c1-20(2)18-39-23-16-21(15-22(31)17-23)25-8-7-24(26(36)19-40(37,38)28-6-3-5-27(32)34-28)29(33-25)35-13-11-30(12-14-35)9-4-10-30;;/h3,5-8,15-17,20H,4,9-14,18-19H2,1-2H3,(H2,32,34);2*1H
• InChIKey: POWXKZKCVYQFDR-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 115.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.73
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-pyridinyl)sulfonyl]-1-[2-(7-azaspiro[3.5]nonan-7-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-pyridinyl]ethanone;molecular hydrogen?

The IUPAC name of 2-[(6-amino-2-pyridinyl)sulfonyl]-1-[2-(7-azaspiro[3.5]nonan-7-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-pyridinyl]ethanone;molecular hydrogen (CID 167644063) is 2-[(6-amino-2-pyridinyl)sulfonyl]-1-[2-(7-azaspiro[3.5]nonan-7-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-pyridinyl]ethanone;molecular hydrogen.

What is the SMILES notation for 2-[(6-amino-2-pyridinyl)sulfonyl]-1-[2-(7-azaspiro[3.5]nonan-7-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-pyridinyl]ethanone;molecular hydrogen?

The canonical SMILES for 2-[(6-amino-2-pyridinyl)sulfonyl]-1-[2-(7-azaspiro[3.5]nonan-7-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-pyridinyl]ethanone;molecular hydrogen is CC(C)COc1cc(F)cc(-c2ccc(C(=O)CS(=O)(=O)c3cccc(N)n3)c(N3CCC4(CCC4)CC3)n2)c1.[H][H].[H][H].

What is the InChIKey of 2-[(6-amino-2-pyridinyl)sulfonyl]-1-[2-(7-azaspiro[3.5]nonan-7-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-pyridinyl]ethanone;molecular hydrogen?

The InChIKey is POWXKZKCVYQFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN4O4S.2H2/c1-20(2)18-39-23-16-21(15-22(31)17-23)25-8-7-24(26(36)19-40(37,38)28-6-3-5-27(32)34-28)29(33-25)35-13-11-30(12-14-35)9-4-10-30;;/h3,5-8,15-17,20H,4,9-14,18-19H2,1-2H3,(H2,32,34);2*1H.

What are the key properties of 2-[(6-amino-2-pyridinyl)sulfonyl]-1-[2-(7-azaspiro[3.5]nonan-7-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-pyridinyl]ethanone;molecular hydrogen?

2-[(6-amino-2-pyridinyl)sulfonyl]-1-[2-(7-azaspiro[3.5]nonan-7-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-pyridinyl]ethanone;molecular hydrogen has a molecular weight of 570.73 g/mol, XLogP of 5.82, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6-amino-2-pyridinyl)sulfonyl]-1-[2-(7-azaspiro[3.5]nonan-7-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-pyridinyl]ethanone;molecular hydrogen is sourced from PubChem (CID 167644063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).