3-acetyl-6-methyl-1-(3-methylphenyl)pyridin-2-one;1-cyclopropyl-3-[6-(2-fluoro-4-methylphenoxy)imidazo[1,2-a]pyridin-2-yl]propan-1-one;ethane

C41H52FN3O4 — CID 143889975

IUPAC3-acetyl-6-methyl-1-(3-methylphenyl)pyridin-2-one;1-cyclopropyl-3-[6-(2-fluoro-4-methylphenoxy)imidazo[1,2-a]pyridin-2-yl]propan-1-one;ethane
SMILESCC.CC.CC.CC(=O)c1ccc(C)n(-c2cccc(C)c2)c1=O.Cc1ccc(Oc2ccc3nc(CCC(=O)C4CC4)cn3c2)c(F)c1
InChIInChI=1S/C20H19FN2O2.C15H15NO2.3C2H6/c1-13-2-8-19(17(21)10-13)25-16-6-9-20-22-15(11-23(20)12-16)5-7-18(24)14-3-4-14;1-10-5-4-6-13(9-10)16-11(2)7-8-14(12(3)17)15(16)18;3*1-2/h2,6,8-12,14H,3-5,7H2,1H3;4-9H,1-3H3;3*1-2H3
InChIKeyYGTBQCLCKACYQB-UHFFFAOYSA-N
MW669.88 g/mol
LogP10.22
Rot. Bonds8

About 3-acetyl-6-methyl-1-(3-methylphenyl)pyridin-2-one;1-cyclopropyl-3-[6-(2-fluoro-4-methylphenoxy)imidazo[1,2-a]pyridin-2-yl]propan-1-one;ethane

3-acetyl-6-methyl-1-(3-methylphenyl)pyridin-2-one;1-cyclopropyl-3-[6-(2-fluoro-4-methylphenoxy)imidazo[1,2-a]pyridin-2-yl]propan-1-one;ethane (PubChem CID 143889975) has the molecular formula C41H52FN3O4 and a molecular weight of 669.88 g/mol. Its IUPAC name is 3-acetyl-6-methyl-1-(3-methylphenyl)pyridin-2-one;1-cyclopropyl-3-[6-(2-fluoro-4-methylphenoxy)imidazo[1,2-a]pyridin-2-yl]propan-1-one;ethane.

Molecular Properties

Compound Name3-acetyl-6-methyl-1-(3-methylphenyl)pyridin-2-one;1-cyclopropyl-3-[6-(2-fluoro-4-methylphenoxy)imidazo[1,2-a]pyridin-2-yl]propan-1-one;ethane
PubChem CID143889975
Molecular FormulaC41H52FN3O4
Molecular Weight669.88 g/mol
Exact Mass669.39
IUPAC Name3-acetyl-6-methyl-1-(3-methylphenyl)pyridin-2-one;1-cyclopropyl-3-[6-(2-fluoro-4-methylphenoxy)imidazo[1,2-a]pyridin-2-yl]propan-1-one;ethane
SMILESCC.CC.CC.CC(=O)c1ccc(C)n(-c2cccc(C)c2)c1=O.Cc1ccc(Oc2ccc3nc(CCC(=O)C4CC4)cn3c2)c(F)c1
InChIInChI=1S/C20H19FN2O2.C15H15NO2.3C2H6/c1-13-2-8-19(17(21)10-13)25-16-6-9-20-22-15(11-23(20)12-16)5-7-18(24)14-3-4-14;1-10-5-4-6-13(9-10)16-11(2)7-8-14(12(3)17)15(16)18;3*1-2/h2,6,8-12,14H,3-5,7H2,1H3;4-9H,1-3H3;3*1-2H3
InChIKeyYGTBQCLCKACYQB-UHFFFAOYSA-N
XLogP10.22
TPSA82.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.88
LogP ≤ 510.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-6-methyl-1-(3-methylphenyl)-2-oxopyridine-3-carboxamide
CID 58158493
6-amino-N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide
CID 143889998
N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide
CID 66968949
N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluoro-2-methylphenyl)-2-oxopyridine-3-carboxamide
CID 58158554
1-cyclopropyl-3-imidazo[1,2-a]pyridin-2-ylpropan-1-one
CID 79417170
N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-6-(3-fluorophenyl)-5-methyl-1-oxidopyridin-1-ium-2-carboxamide;4-methylbenzenesulfonic acid
CID 86651403
N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide
CID 58158620
N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-6-(4-fluorophenyl)-5-methyl-1-oxidopyridin-1-ium-2-carboxamide
CID 66968571
N-[6-(2-fluoro-4-nitrophenoxy)-3-methylimidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 58158621
N-[4-[2-(cyclopropanecarbonylamino)-3-fluoroimidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 143889995
3-(6-methylimidazo[1,2-a]pyridin-2-yl)propanoic acid
CID 4912874
N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 58158574

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-6-methyl-1-(3-methylphenyl)pyridin-2-one;1-cyclopropyl-3-[6-(2-fluoro-4-methylphenoxy)imidazo[1,2-a]pyridin-2-yl]propan-1-one;ethane?
The IUPAC name of 3-acetyl-6-methyl-1-(3-methylphenyl)pyridin-2-one;1-cyclopropyl-3-[6-(2-fluoro-4-methylphenoxy)imidazo[1,2-a]pyridin-2-yl]propan-1-one;ethane (CID 143889975) is 3-acetyl-6-methyl-1-(3-methylphenyl)pyridin-2-one;1-cyclopropyl-3-[6-(2-fluoro-4-methylphenoxy)imidazo[1,2-a]pyridin-2-yl]propan-1-one;ethane.
What is the SMILES notation for 3-acetyl-6-methyl-1-(3-methylphenyl)pyridin-2-one;1-cyclopropyl-3-[6-(2-fluoro-4-methylphenoxy)imidazo[1,2-a]pyridin-2-yl]propan-1-one;ethane?
The canonical SMILES for 3-acetyl-6-methyl-1-(3-methylphenyl)pyridin-2-one;1-cyclopropyl-3-[6-(2-fluoro-4-methylphenoxy)imidazo[1,2-a]pyridin-2-yl]propan-1-one;ethane is CC.CC.CC.CC(=O)c1ccc(C)n(-c2cccc(C)c2)c1=O.Cc1ccc(Oc2ccc3nc(CCC(=O)C4CC4)cn3c2)c(F)c1.
What is the InChIKey of 3-acetyl-6-methyl-1-(3-methylphenyl)pyridin-2-one;1-cyclopropyl-3-[6-(2-fluoro-4-methylphenoxy)imidazo[1,2-a]pyridin-2-yl]propan-1-one;ethane?
The InChIKey is YGTBQCLCKACYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2.C15H15NO2.3C2H6/c1-13-2-8-19(17(21)10-13)25-16-6-9-20-22-15(11-23(20)12-16)5-7-18(24)14-3-4-14;1-10-5-4-6-13(9-10)16-11(2)7-8-14(12(3)17)15(16)18;3*1-2/h2,6,8-12,14H,3-5,7H2,1H3;4-9H,1-3H3;3*1-2H3.
What are the key properties of 3-acetyl-6-methyl-1-(3-methylphenyl)pyridin-2-one;1-cyclopropyl-3-[6-(2-fluoro-4-methylphenoxy)imidazo[1,2-a]pyridin-2-yl]propan-1-one;ethane?
3-acetyl-6-methyl-1-(3-methylphenyl)pyridin-2-one;1-cyclopropyl-3-[6-(2-fluoro-4-methylphenoxy)imidazo[1,2-a]pyridin-2-yl]propan-1-one;ethane has a molecular weight of 669.88 g/mol, XLogP of 10.22, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-6-methyl-1-(3-methylphenyl)pyridin-2-one;1-cyclopropyl-3-[6-(2-fluoro-4-methylphenoxy)imidazo[1,2-a]pyridin-2-yl]propan-1-one;ethane is sourced from PubChem (CID 143889975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).