5-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-(4-fluoro-1H-benzimidazol-2-yl)pyrazin-2-amine;molecular hydrogen

C18H23FN6O2S — CID 158309127

About 5-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-(4-fluoro-1H-benzimidazol-2-yl)pyrazin-2-amine;molecular hydrogen

5-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-(4-fluoro-1H-benzimidazol-2-yl)pyrazin-2-amine;molecular hydrogen (PubChem CID 158309127) has the molecular formula C18H23FN6O2S and a molecular weight of 406.49 g/mol. Its IUPAC name is 5-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-(4-fluoro-1H-benzimidazol-2-yl)pyrazin-2-amine;molecular hydrogen.

Molecular Properties

• Compound Name: 5-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-(4-fluoro-1H-benzimidazol-2-yl)pyrazin-2-amine;molecular hydrogen
• PubChem CID: 158309127
• Molecular Formula: C18H23FN6O2S
• Molecular Weight: 406.49 g/mol
• Exact Mass: 406.16
• IUPAC Name: 5-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-(4-fluoro-1H-benzimidazol-2-yl)pyrazin-2-amine;molecular hydrogen
• SMILES: CCS(=O)(=O)N1CC=C(c2cnc(N)c(-c3nc4c(F)cccc4[nH]3)n2)CC1.[H][H].[H][H]
• InChI: InChI=1S/C18H19FN6O2S.2H2/c1-2-28(26,27)25-8-6-11(7-9-25)14-10-21-17(20)16(22-14)18-23-13-5-3-4-12(19)15(13)24-18;;/h3-6,10H,2,7-9H2,1H3,(H2,20,21)(H,23,24);2*1H
• InChIKey: GNLOAAWGUSCQRO-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 117.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.49
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-(4-fluoro-1H-benzimidazol-2-yl)pyrazin-2-amine;molecular hydrogen?

The IUPAC name of 5-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-(4-fluoro-1H-benzimidazol-2-yl)pyrazin-2-amine;molecular hydrogen (CID 158309127) is 5-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-(4-fluoro-1H-benzimidazol-2-yl)pyrazin-2-amine;molecular hydrogen.

What is the SMILES notation for 5-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-(4-fluoro-1H-benzimidazol-2-yl)pyrazin-2-amine;molecular hydrogen?

The canonical SMILES for 5-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-(4-fluoro-1H-benzimidazol-2-yl)pyrazin-2-amine;molecular hydrogen is CCS(=O)(=O)N1CC=C(c2cnc(N)c(-c3nc4c(F)cccc4[nH]3)n2)CC1.[H][H].[H][H].

What is the InChIKey of 5-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-(4-fluoro-1H-benzimidazol-2-yl)pyrazin-2-amine;molecular hydrogen?

The InChIKey is GNLOAAWGUSCQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O2S.2H2/c1-2-28(26,27)25-8-6-11(7-9-25)14-10-21-17(20)16(22-14)18-23-13-5-3-4-12(19)15(13)24-18;;/h3-6,10H,2,7-9H2,1H3,(H2,20,21)(H,23,24);2*1H.

What are the key properties of 5-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-(4-fluoro-1H-benzimidazol-2-yl)pyrazin-2-amine;molecular hydrogen?

5-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-(4-fluoro-1H-benzimidazol-2-yl)pyrazin-2-amine;molecular hydrogen has a molecular weight of 406.49 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-(4-fluoro-1H-benzimidazol-2-yl)pyrazin-2-amine;molecular hydrogen is sourced from PubChem (CID 158309127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).