(2S)-2-[2-hydroxy-3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-oxo-2H-purin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]propanamide

C24H23F3N10O4 — CID 130467859

About (2S)-2-[2-hydroxy-3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-oxo-2H-purin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]propanamide

(2S)-2-[2-hydroxy-3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-oxo-2H-purin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]propanamide (PubChem CID 130467859) has the molecular formula C24H23F3N10O4 and a molecular weight of 572.51 g/mol. Its IUPAC name is (2S)-2-[2-hydroxy-3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-oxo-2H-purin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]propanamide.

Molecular Properties

• Compound Name: (2S)-2-[2-hydroxy-3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-oxo-2H-purin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]propanamide
• PubChem CID: 130467859
• Molecular Formula: C24H23F3N10O4
• Molecular Weight: 572.51 g/mol
• Exact Mass: 572.19
• IUPAC Name: (2S)-2-[2-hydroxy-3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-oxo-2H-purin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]propanamide
• SMILES: Cc1nc(CN2C(=O)c3c(ncn3[C@@H](C)C(=O)Nc3cncc(-c4cnc(C)c(C(F)(F)F)c4)n3)N(C)C2O)no1
• InChI: InChI=1S/C24H23F3N10O4/c1-11-15(24(25,26)27)5-14(6-29-11)16-7-28-8-17(32-16)33-21(38)12(2)37-10-30-20-19(37)22(39)36(23(40)35(20)4)9-18-31-13(3)41-34-18/h5-8,10,12,23,40H,9H2,1-4H3,(H,32,33,38)/t12-,23?/m0/s1
• InChIKey: QXSBUUNCCLEOFT-AKYMPMEGSA-N
• XLogP: 2.32
• TPSA: 168.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.51
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-hydroxy-3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-oxo-2H-purin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]propanamide?

The IUPAC name of (2S)-2-[2-hydroxy-3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-oxo-2H-purin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]propanamide (CID 130467859) is (2S)-2-[2-hydroxy-3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-oxo-2H-purin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]propanamide.

What is the SMILES notation for (2S)-2-[2-hydroxy-3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-oxo-2H-purin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]propanamide?

The canonical SMILES for (2S)-2-[2-hydroxy-3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-oxo-2H-purin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]propanamide is Cc1nc(CN2C(=O)c3c(ncn3[C@@H](C)C(=O)Nc3cncc(-c4cnc(C)c(C(F)(F)F)c4)n3)N(C)C2O)no1.

What is the InChIKey of (2S)-2-[2-hydroxy-3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-oxo-2H-purin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]propanamide?

The InChIKey is QXSBUUNCCLEOFT-AKYMPMEGSA-N. The full InChI is InChI=1S/C24H23F3N10O4/c1-11-15(24(25,26)27)5-14(6-29-11)16-7-28-8-17(32-16)33-21(38)12(2)37-10-30-20-19(37)22(39)36(23(40)35(20)4)9-18-31-13(3)41-34-18/h5-8,10,12,23,40H,9H2,1-4H3,(H,32,33,38)/t12-,23?/m0/s1.

What are the key properties of (2S)-2-[2-hydroxy-3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-oxo-2H-purin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]propanamide?

(2S)-2-[2-hydroxy-3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-oxo-2H-purin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]propanamide has a molecular weight of 572.51 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[2-hydroxy-3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-oxo-2H-purin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]propanamide is sourced from PubChem (CID 130467859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).