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

C24H22FN7O4 — CID 18762411

IUPAC2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[3-methyl-1-oxo-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)butan-2-yl]acetamide
SMILESCC(C)C(NC(=O)Cn1c(-c2ccc(F)cc2)ncc(N)c1=O)C(=O)c1nnc(-c2cccnc2)o1
InChIInChI=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)
InChIKeyMIMQCQAIKHAMBV-UHFFFAOYSA-N
MW491.48 g/mol
LogP2.10
Rot. Bonds8

About 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[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-[3-methyl-1-oxo-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)butan-2-yl]acetamide (PubChem CID 18762411) 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-[3-methyl-1-oxo-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)butan-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[3-methyl-1-oxo-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)butan-2-yl]acetamide
PubChem CID18762411
Molecular FormulaC24H22FN7O4
Molecular Weight491.48 g/mol
Exact Mass491.17
IUPAC Name2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[3-methyl-1-oxo-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)butan-2-yl]acetamide
SMILESCC(C)C(NC(=O)Cn1c(-c2ccc(F)cc2)ncc(N)c1=O)C(=O)c1nnc(-c2cccnc2)o1
InChIInChI=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)
InChIKeyMIMQCQAIKHAMBV-UHFFFAOYSA-N
XLogP2.10
TPSA158.89 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.48
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[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-[3-methyl-1-oxo-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)butan-2-yl]acetamide (CID 18762411) is 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[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-[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-[3-methyl-1-oxo-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)butan-2-yl]acetamide is CC(C)C(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-[3-methyl-1-oxo-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)butan-2-yl]acetamide?
The InChIKey is MIMQCQAIKHAMBV-UHFFFAOYSA-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).
What are the key properties of 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[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-[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-[3-methyl-1-oxo-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)butan-2-yl]acetamide is sourced from PubChem (CID 18762411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).