2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide

C24H23FN6O2 — CID 158414445

IUPAC2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide
SMILESCn1cnc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C)CC5)no4)c(F)c3)cn2)c1
InChIInChI=1S/C24H23FN6O2/c1-24(5-6-24)20-10-23(33-30-20)29-22(32)8-16-4-3-15(7-19(16)25)17-11-26-21(27-12-17)9-18-13-31(2)14-28-18/h3-4,7,10-14H,5-6,8-9H2,1-2H3,(H,29,32)
InChIKeyHQUBJDUUFVMBHD-UHFFFAOYSA-N
MW446.49 g/mol
LogP3.83
Rot. Bonds7

About 2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide

2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide (PubChem CID 158414445) has the molecular formula C24H23FN6O2 and a molecular weight of 446.49 g/mol. Its IUPAC name is 2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide
PubChem CID158414445
Molecular FormulaC24H23FN6O2
Molecular Weight446.49 g/mol
Exact Mass446.19
IUPAC Name2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide
SMILESCn1cnc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C)CC5)no4)c(F)c3)cn2)c1
InChIInChI=1S/C24H23FN6O2/c1-24(5-6-24)20-10-23(33-30-20)29-22(32)8-16-4-3-15(7-19(16)25)17-11-26-21(27-12-17)9-18-13-31(2)14-28-18/h3-4,7,10-14H,5-6,8-9H2,1-2H3,(H,29,32)
InChIKeyHQUBJDUUFVMBHD-UHFFFAOYSA-N
XLogP3.83
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
CID 158346684
2-[2-fluoro-4-[2-[(1-propylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
CID 162140939
2-[2-fluoro-4-[2-[(3-isocyano-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
CID 161384740
2-[2-fluoro-4-[2-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
CID 158447603
2-[4-[2-[[3-ethyl-1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
CID 157273074
2-[4-[2-[[1-(difluoromethyl)-3-methoxypyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
CID 159987105
2-[2-fluoro-4-[2-[[3-(methoxymethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
CID 147949489
2-[4-(6-amino-5-fluoro-3-pyridinyl)phenyl]-N-[3-(3-methyloxetan-3-yl)-1,2-oxazol-5-yl]acetamide
CID 89401040
2-[2-fluoro-4-[2-[(3-methoxy-1-methylpyrazol-5-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
CID 148534388
2-[4-[2-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
CID 158939183
2-[4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
CID 160841086
2-[4-[2-[[1-(difluoromethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
CID 160614969

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide?
The IUPAC name of 2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide (CID 158414445) is 2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for 2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for 2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide is Cn1cnc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C)CC5)no4)c(F)c3)cn2)c1.
What is the InChIKey of 2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide?
The InChIKey is HQUBJDUUFVMBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O2/c1-24(5-6-24)20-10-23(33-30-20)29-22(32)8-16-4-3-15(7-19(16)25)17-11-26-21(27-12-17)9-18-13-31(2)14-28-18/h3-4,7,10-14H,5-6,8-9H2,1-2H3,(H,29,32).
What are the key properties of 2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide?
2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide has a molecular weight of 446.49 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 158414445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).