ethyl 4-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-methyl-4-oxo-2-pyrimidin-5-ylbutanoate

C26H24F2N4O4 — CID 162171307

IUPACethyl 4-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-methyl-4-oxo-2-pyrimidin-5-ylbutanoate
SMILESCCOC(=O)C(C)(CC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cccn12)c1cncnc1
InChIInChI=1S/C26H24F2N4O4/c1-4-35-25(34)26(3,17-12-29-15-30-13-17)11-21(33)23-16(2)31-24-22(9-6-10-32(23)24)36-14-18-19(27)7-5-8-20(18)28/h5-10,12-13,15H,4,11,14H2,1-3H3
InChIKeyZNVFEACOSFTWTL-UHFFFAOYSA-N
MW494.50 g/mol
LogP4.38
Rot. Bonds9

About ethyl 4-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-methyl-4-oxo-2-pyrimidin-5-ylbutanoate

ethyl 4-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-methyl-4-oxo-2-pyrimidin-5-ylbutanoate (PubChem CID 162171307) has the molecular formula C26H24F2N4O4 and a molecular weight of 494.50 g/mol. Its IUPAC name is ethyl 4-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-methyl-4-oxo-2-pyrimidin-5-ylbutanoate.

Molecular Properties

Compound Nameethyl 4-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-methyl-4-oxo-2-pyrimidin-5-ylbutanoate
PubChem CID162171307
Molecular FormulaC26H24F2N4O4
Molecular Weight494.50 g/mol
Exact Mass494.18
IUPAC Nameethyl 4-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-methyl-4-oxo-2-pyrimidin-5-ylbutanoate
SMILESCCOC(=O)C(C)(CC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cccn12)c1cncnc1
InChIInChI=1S/C26H24F2N4O4/c1-4-35-25(34)26(3,17-12-29-15-30-13-17)11-21(33)23-16(2)31-24-22(9-6-10-32(23)24)36-14-18-19(27)7-5-8-20(18)28/h5-10,12-13,15H,4,11,14H2,1-3H3
InChIKeyZNVFEACOSFTWTL-UHFFFAOYSA-N
XLogP4.38
TPSA95.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.50
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)-3-pyridin-3-ylbutan-1-one
CID 146970344
1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[4-(hydroxymethyl)phenyl]-3-methylbutan-1-one
CID 157199247
8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl chloride
CID 86717886
1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[2-(hydroxymethyl)-4-pyridinyl]-3-methylbutan-1-one
CID 147791374
(3S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(hydroxymethyl)hexan-1-one
CID 147859544
methyl 2-[3-[[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]phenyl]-2-methylpropanoate
CID 90090885
1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanone
CID 158469732
8-[(2,6-difluorophenyl)methoxy]-N-(3-hydroxy-2-methylbutan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 129268093
8-[(2,6-difluorophenyl)methoxy]-N-isoquinolin-5-yl-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 118144999
8-[(2,6-difluorophenyl)methoxy]-N-(4,5-dimethyl-1,3-oxazol-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 118144801
(4S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-4-phenylbutan-1-one;methane
CID 160857855
methyl 2-(4-chlorophenyl)-4-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-oxobutanoate
CID 160620966

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-methyl-4-oxo-2-pyrimidin-5-ylbutanoate?
The IUPAC name of ethyl 4-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-methyl-4-oxo-2-pyrimidin-5-ylbutanoate (CID 162171307) is ethyl 4-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-methyl-4-oxo-2-pyrimidin-5-ylbutanoate.
What is the SMILES notation for ethyl 4-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-methyl-4-oxo-2-pyrimidin-5-ylbutanoate?
The canonical SMILES for ethyl 4-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-methyl-4-oxo-2-pyrimidin-5-ylbutanoate is CCOC(=O)C(C)(CC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cccn12)c1cncnc1.
What is the InChIKey of ethyl 4-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-methyl-4-oxo-2-pyrimidin-5-ylbutanoate?
The InChIKey is ZNVFEACOSFTWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N4O4/c1-4-35-25(34)26(3,17-12-29-15-30-13-17)11-21(33)23-16(2)31-24-22(9-6-10-32(23)24)36-14-18-19(27)7-5-8-20(18)28/h5-10,12-13,15H,4,11,14H2,1-3H3.
What are the key properties of ethyl 4-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-methyl-4-oxo-2-pyrimidin-5-ylbutanoate?
ethyl 4-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-methyl-4-oxo-2-pyrimidin-5-ylbutanoate has a molecular weight of 494.50 g/mol, XLogP of 4.38, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-methyl-4-oxo-2-pyrimidin-5-ylbutanoate is sourced from PubChem (CID 162171307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).