1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[4-(hydroxymethyl)phenyl]-3-methylbutan-1-one

C27H26F2N2O4 — CID 157199247

IUPAC1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[4-(hydroxymethyl)phenyl]-3-methylbutan-1-one
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)CC(C)(CO)c1ccc(CO)cc1
InChIInChI=1S/C27H26F2N2O4/c1-17-25(23(34)13-27(2,16-33)19-10-8-18(14-32)9-11-19)31-12-4-7-24(26(31)30-17)35-15-20-21(28)5-3-6-22(20)29/h3-12,32-33H,13-16H2,1-2H3
InChIKeyAQPLPXFDHAWFOG-UHFFFAOYSA-N
MW480.51 g/mol
LogP4.52
Rot. Bonds9

About 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[4-(hydroxymethyl)phenyl]-3-methylbutan-1-one

1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[4-(hydroxymethyl)phenyl]-3-methylbutan-1-one (PubChem CID 157199247) has the molecular formula C27H26F2N2O4 and a molecular weight of 480.51 g/mol. Its IUPAC name is 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[4-(hydroxymethyl)phenyl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[4-(hydroxymethyl)phenyl]-3-methylbutan-1-one
PubChem CID157199247
Molecular FormulaC27H26F2N2O4
Molecular Weight480.51 g/mol
Exact Mass480.19
IUPAC Name1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[4-(hydroxymethyl)phenyl]-3-methylbutan-1-one
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)CC(C)(CO)c1ccc(CO)cc1
InChIInChI=1S/C27H26F2N2O4/c1-17-25(23(34)13-27(2,16-33)19-10-8-18(14-32)9-11-19)31-12-4-7-24(26(31)30-17)35-15-20-21(28)5-3-6-22(20)29/h3-12,32-33H,13-16H2,1-2H3
InChIKeyAQPLPXFDHAWFOG-UHFFFAOYSA-N
XLogP4.52
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.51
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
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
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
8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl chloride
CID 86717886
8-[(2,6-difluorophenyl)methoxy]-N-[1,3-dihydroxy-2-(4-methylphenyl)propan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90090956
8-[(2-fluorophenyl)methoxy]-N-[2-[4-(hydroxymethyl)phenyl]propan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 144635819
(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]-N-[1-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 118321176
methyl 3-[(2R)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-1-hydroxypropan-2-yl]benzoate
CID 118321164
1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[1-(2-hydroxyethyl)-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone
CID 161238104
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-[1-hydroxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 118321207

Frequently Asked Questions

What is the IUPAC name of 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[4-(hydroxymethyl)phenyl]-3-methylbutan-1-one?
The IUPAC name of 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) is 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[4-(hydroxymethyl)phenyl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[4-(hydroxymethyl)phenyl]-3-methylbutan-1-one?
The canonical SMILES for 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[4-(hydroxymethyl)phenyl]-3-methylbutan-1-one is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)CC(C)(CO)c1ccc(CO)cc1.
What is the InChIKey of 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[4-(hydroxymethyl)phenyl]-3-methylbutan-1-one?
The InChIKey is AQPLPXFDHAWFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N2O4/c1-17-25(23(34)13-27(2,16-33)19-10-8-18(14-32)9-11-19)31-12-4-7-24(26(31)30-17)35-15-20-21(28)5-3-6-22(20)29/h3-12,32-33H,13-16H2,1-2H3.
What are the key properties of 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[4-(hydroxymethyl)phenyl]-3-methylbutan-1-one?
1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[4-(hydroxymethyl)phenyl]-3-methylbutan-1-one has a molecular weight of 480.51 g/mol, XLogP of 4.52, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[4-(hydroxymethyl)phenyl]-3-methylbutan-1-one is sourced from PubChem (CID 157199247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).