5-[4-(azetidin-1-ylsulfonyl)phenyl]-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen

C23H29N7O3S — CID 161124180

About 5-[4-(azetidin-1-ylsulfonyl)phenyl]-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen

5-[4-(azetidin-1-ylsulfonyl)phenyl]-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen (PubChem CID 161124180) has the molecular formula C23H29N7O3S and a molecular weight of 483.60 g/mol. Its IUPAC name is 5-[4-(azetidin-1-ylsulfonyl)phenyl]-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen.

Molecular Properties

• Compound Name: 5-[4-(azetidin-1-ylsulfonyl)phenyl]-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen
• PubChem CID: 161124180
• Molecular Formula: C23H29N7O3S
• Molecular Weight: 483.60 g/mol
• Exact Mass: 483.21
• IUPAC Name: 5-[4-(azetidin-1-ylsulfonyl)phenyl]-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen
• SMILES: CNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)N5CCC5)cc4)cnc3N)o2)cc1.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C23H23N7O3S.3H2/c1-25-13-15-3-5-17(6-4-15)22-28-29-23(33-22)20-21(24)26-14-19(27-20)16-7-9-18(10-8-16)34(31,32)30-11-2-12-30;;;/h3-10,14,25H,2,11-13H2,1H3,(H2,24,26);3*1H
• InChIKey: ULIMZDRAVQGDQC-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 140.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.60
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[4-(azetidin-1-ylsulfonyl)phenyl]-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen?

The IUPAC name of 5-[4-(azetidin-1-ylsulfonyl)phenyl]-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen (CID 161124180) is 5-[4-(azetidin-1-ylsulfonyl)phenyl]-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen.

What is the SMILES notation for 5-[4-(azetidin-1-ylsulfonyl)phenyl]-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen?

The canonical SMILES for 5-[4-(azetidin-1-ylsulfonyl)phenyl]-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen is CNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)N5CCC5)cc4)cnc3N)o2)cc1.[H][H].[H][H].[H][H].

What is the InChIKey of 5-[4-(azetidin-1-ylsulfonyl)phenyl]-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen?

The InChIKey is ULIMZDRAVQGDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O3S.3H2/c1-25-13-15-3-5-17(6-4-15)22-28-29-23(33-22)20-21(24)26-14-19(27-20)16-7-9-18(10-8-16)34(31,32)30-11-2-12-30;;;/h3-10,14,25H,2,11-13H2,1H3,(H2,24,26);3*1H.

What are the key properties of 5-[4-(azetidin-1-ylsulfonyl)phenyl]-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen?

5-[4-(azetidin-1-ylsulfonyl)phenyl]-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen has a molecular weight of 483.60 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(azetidin-1-ylsulfonyl)phenyl]-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen is sourced from PubChem (CID 161124180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).