methyl 2-(4-chlorophenyl)-4-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-oxobutanoate

C26H21ClF2N2O4 — CID 160620966

IUPACmethyl 2-(4-chlorophenyl)-4-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-oxobutanoate
SMILESCOC(=O)C(CC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cccn12)c1ccc(Cl)cc1
InChIInChI=1S/C26H21ClF2N2O4/c1-15-24(22(32)13-18(26(33)34-2)16-8-10-17(27)11-9-16)31-12-4-7-23(25(31)30-15)35-14-19-20(28)5-3-6-21(19)29/h3-12,18H,13-14H2,1-2H3
InChIKeyRGRSYBFDDJRIIK-UHFFFAOYSA-N
MW498.91 g/mol
LogP5.68
Rot. Bonds8

About methyl 2-(4-chlorophenyl)-4-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-oxobutanoate

methyl 2-(4-chlorophenyl)-4-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-oxobutanoate (PubChem CID 160620966) has the molecular formula C26H21ClF2N2O4 and a molecular weight of 498.91 g/mol. Its IUPAC name is methyl 2-(4-chlorophenyl)-4-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 2-(4-chlorophenyl)-4-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-oxobutanoate
PubChem CID160620966
Molecular FormulaC26H21ClF2N2O4
Molecular Weight498.91 g/mol
Exact Mass498.12
IUPAC Namemethyl 2-(4-chlorophenyl)-4-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-oxobutanoate
SMILESCOC(=O)C(CC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cccn12)c1ccc(Cl)cc1
InChIInChI=1S/C26H21ClF2N2O4/c1-15-24(22(32)13-18(26(33)34-2)16-8-10-17(27)11-9-16)31-12-4-7-23(25(31)30-15)35-14-19-20(28)5-3-6-21(19)29/h3-12,18H,13-14H2,1-2H3
InChIKeyRGRSYBFDDJRIIK-UHFFFAOYSA-N
XLogP5.68
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.91
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-[8-[(2-chloro-6-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(3,4-difluorophenyl)butan-1-one
CID 153227262
(3S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(hydroxymethyl)hexan-1-one
CID 147859544
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-(4-methylsulfonylphenyl)butan-1-one
CID 158763165
(4S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-4-phenylbutan-1-one;methane
CID 160857855
8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 118144957
8-[(2,6-difluorophenyl)methoxy]-N-(3-hydroxybutyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90135188
8-[(2,6-difluorophenyl)methoxy]-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90090866
N-(7-chloroquinolin-4-yl)-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 118142849
8-[(2,6-difluorophenyl)methoxy]-N-(3-hydroxy-2-methylbutan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 129268093
N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 90090948
methyl 3-[(1S)-1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]benzoate
CID 90091198

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chlorophenyl)-4-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-oxobutanoate?
The IUPAC name of methyl 2-(4-chlorophenyl)-4-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-oxobutanoate (CID 160620966) is methyl 2-(4-chlorophenyl)-4-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-oxobutanoate.
What is the SMILES notation for methyl 2-(4-chlorophenyl)-4-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-oxobutanoate?
The canonical SMILES for methyl 2-(4-chlorophenyl)-4-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-oxobutanoate is COC(=O)C(CC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cccn12)c1ccc(Cl)cc1.
What is the InChIKey of methyl 2-(4-chlorophenyl)-4-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-oxobutanoate?
The InChIKey is RGRSYBFDDJRIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClF2N2O4/c1-15-24(22(32)13-18(26(33)34-2)16-8-10-17(27)11-9-16)31-12-4-7-23(25(31)30-15)35-14-19-20(28)5-3-6-21(19)29/h3-12,18H,13-14H2,1-2H3.
What are the key properties of methyl 2-(4-chlorophenyl)-4-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-oxobutanoate?
methyl 2-(4-chlorophenyl)-4-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-oxobutanoate has a molecular weight of 498.91 g/mol, XLogP of 5.68, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chlorophenyl)-4-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-oxobutanoate is sourced from PubChem (CID 160620966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).