2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)butan-2-yl]acetamide

C24H22FN7O4 — CID 10767409

About 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)butan-2-yl]acetamide

2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)butan-2-yl]acetamide (PubChem CID 10767409) has the molecular formula C24H22FN7O4 and a molecular weight of 491.48 g/mol. Its IUPAC name is 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)butan-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)butan-2-yl]acetamide
• PubChem CID: 10767409
• Molecular Formula: C24H22FN7O4
• Molecular Weight: 491.48 g/mol
• Exact Mass: 491.17
• IUPAC Name: 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)butan-2-yl]acetamide
• SMILES: CC(C)[C@H](NC(=O)Cn1c(-c2ccc(F)cc2)ncc(N)c1=O)C(=O)c1nnc(-c2cccnc2)o1
• InChI: InChI=1S/C24H22FN7O4/c1-13(2)19(20(34)23-31-30-22(36-23)15-4-3-9-27-10-15)29-18(33)12-32-21(28-11-17(26)24(32)35)14-5-7-16(25)8-6-14/h3-11,13,19H,12,26H2,1-2H3,(H,29,33)/t19-/m0/s1
• InChIKey: MIMQCQAIKHAMBV-IBGZPJMESA-N
• XLogP: 2.10
• TPSA: 158.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.48
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)butan-2-yl]acetamide?

The IUPAC name of 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)butan-2-yl]acetamide (CID 10767409) is 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)butan-2-yl]acetamide.

What is the SMILES notation for 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)butan-2-yl]acetamide?

The canonical SMILES for 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)butan-2-yl]acetamide is CC(C)[C@H](NC(=O)Cn1c(-c2ccc(F)cc2)ncc(N)c1=O)C(=O)c1nnc(-c2cccnc2)o1.

What is the InChIKey of 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)butan-2-yl]acetamide?

The InChIKey is MIMQCQAIKHAMBV-IBGZPJMESA-N. The full InChI is InChI=1S/C24H22FN7O4/c1-13(2)19(20(34)23-31-30-22(36-23)15-4-3-9-27-10-15)29-18(33)12-32-21(28-11-17(26)24(32)35)14-5-7-16(25)8-6-14/h3-11,13,19H,12,26H2,1-2H3,(H,29,33)/t19-/m0/s1.

What are the key properties of 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)butan-2-yl]acetamide?

2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)butan-2-yl]acetamide has a molecular weight of 491.48 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)butan-2-yl]acetamide is sourced from PubChem (CID 10767409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).