1-(1-fluoropropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one

C24H25FN6O2 — CID 58070407

About 1-(1-fluoropropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one

1-(1-fluoropropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one (PubChem CID 58070407) has the molecular formula C24H25FN6O2 and a molecular weight of 448.50 g/mol. Its IUPAC name is 1-(1-fluoropropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one.

Molecular Properties

• Compound Name: 1-(1-fluoropropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one
• PubChem CID: 58070407
• Molecular Formula: C24H25FN6O2
• Molecular Weight: 448.50 g/mol
• Exact Mass: 448.20
• IUPAC Name: 1-(1-fluoropropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one
• SMILES: CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)CF)c4)cnc3C)o2)c(C)c1
• InChI: InChI=1S/C24H25FN6O2/c1-14-9-17(11-26-4)5-7-19(14)23-29-30-24(33-23)22-16(3)27-12-20(28-22)18-6-8-21(32)31(13-18)15(2)10-25/h5-9,12-13,15,26H,10-11H2,1-4H3
• InChIKey: HDNHUHAEFVGSAM-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 98.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.50
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoropropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one?

The IUPAC name of 1-(1-fluoropropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one (CID 58070407) is 1-(1-fluoropropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one.

What is the SMILES notation for 1-(1-fluoropropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one?

The canonical SMILES for 1-(1-fluoropropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one is CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)CF)c4)cnc3C)o2)c(C)c1.

What is the InChIKey of 1-(1-fluoropropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one?

The InChIKey is HDNHUHAEFVGSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O2/c1-14-9-17(11-26-4)5-7-19(14)23-29-30-24(33-23)22-16(3)27-12-20(28-22)18-6-8-21(32)31(13-18)15(2)10-25/h5-9,12-13,15,26H,10-11H2,1-4H3.

What are the key properties of 1-(1-fluoropropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one?

1-(1-fluoropropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one has a molecular weight of 448.50 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-fluoropropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one is sourced from PubChem (CID 58070407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).