N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyrazine-2-carboxamide;molecular hydrogen

C27H37FN6O4S — CID 157280896

About N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyrazine-2-carboxamide;molecular hydrogen

N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyrazine-2-carboxamide;molecular hydrogen (PubChem CID 157280896) has the molecular formula C27H37FN6O4S and a molecular weight of 560.70 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyrazine-2-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyrazine-2-carboxamide;molecular hydrogen
• PubChem CID: 157280896
• Molecular Formula: C27H37FN6O4S
• Molecular Weight: 560.70 g/mol
• Exact Mass: 560.26
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyrazine-2-carboxamide;molecular hydrogen
• SMILES: CC(C)COc1cc(F)cc(-c2cnc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3C[C@@H](C)CC3(C)C)n2)c1.[H][H].[H][H]
• InChI: InChI=1S/C27H33FN6O4S.2H2/c1-16(2)15-38-20-10-18(9-19(28)11-20)21-13-30-24(25(31-21)34-14-17(3)12-27(34,4)5)26(35)33-39(36,37)23-8-6-7-22(29)32-23;;/h6-11,13,16-17H,12,14-15H2,1-5H3,(H2,29,32)(H,33,35);2*1H/t17-;;/m0../s1
• InChIKey: AZQPOYXTMYBVIX-RMRYJAPISA-N
• XLogP: 4.53
• TPSA: 140.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.70
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyrazine-2-carboxamide;molecular hydrogen?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyrazine-2-carboxamide;molecular hydrogen (CID 157280896) is N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyrazine-2-carboxamide;molecular hydrogen.

What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyrazine-2-carboxamide;molecular hydrogen?

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyrazine-2-carboxamide;molecular hydrogen is CC(C)COc1cc(F)cc(-c2cnc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3C[C@@H](C)CC3(C)C)n2)c1.[H][H].[H][H].

What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyrazine-2-carboxamide;molecular hydrogen?

The InChIKey is AZQPOYXTMYBVIX-RMRYJAPISA-N. The full InChI is InChI=1S/C27H33FN6O4S.2H2/c1-16(2)15-38-20-10-18(9-19(28)11-20)21-13-30-24(25(31-21)34-14-17(3)12-27(34,4)5)26(35)33-39(36,37)23-8-6-7-22(29)32-23;;/h6-11,13,16-17H,12,14-15H2,1-5H3,(H2,29,32)(H,33,35);2*1H/t17-;;/m0../s1.

What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyrazine-2-carboxamide;molecular hydrogen?

N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyrazine-2-carboxamide;molecular hydrogen has a molecular weight of 560.70 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyrazine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 157280896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).