1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]ethanone

C26H22F2N2O3 — CID 159220216

IUPAC1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]ethanone
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)C[C@@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C26H22F2N2O3/c1-15-25(23(32)13-18-17-7-3-2-6-16(17)12-22(18)31)30-11-5-10-24(26(30)29-15)33-14-19-20(27)8-4-9-21(19)28/h2-11,18,22,31H,12-14H2,1H3/t18-,22-/m1/s1
InChIKeyKROVPCQSIYNRIH-XMSQKQJNSA-N
MW448.47 g/mol
LogP4.77
Rot. Bonds6

About 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]ethanone

1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]ethanone (PubChem CID 159220216) has the molecular formula C26H22F2N2O3 and a molecular weight of 448.47 g/mol. Its IUPAC name is 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]ethanone.

Molecular Properties

Compound Name1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]ethanone
PubChem CID159220216
Molecular FormulaC26H22F2N2O3
Molecular Weight448.47 g/mol
Exact Mass448.16
IUPAC Name1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]ethanone
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)C[C@@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C26H22F2N2O3/c1-15-25(23(32)13-18-17-7-3-2-6-16(17)12-22(18)31)30-11-5-10-24(26(30)29-15)33-14-19-20(27)8-4-9-21(19)28/h2-11,18,22,31H,12-14H2,1H3/t18-,22-/m1/s1
InChIKeyKROVPCQSIYNRIH-XMSQKQJNSA-N
XLogP4.77
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.47
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]ethanone with MolForge

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Related Compounds

1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]ethanone
CID 159220214
1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]ethanone;hydrochloride
CID 161331743
methyl (1S,2R)-1-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]-7-fluoro-2,3-dihydro-1H-indene-2-carboxylate
CID 149376437
8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl chloride
CID 86717886
8-[(2,6-difluorophenyl)methoxy]-N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90090966
(3R)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]phenyl]butan-1-one
CID 148975812
(3S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(hydroxymethyl)hexan-1-one
CID 147859544
(1S,2R)-1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-2-carboxylic acid
CID 71478606
(4S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-4-phenylbutan-1-one;methane
CID 160857855
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
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
2-cyclopropyl-1-[4-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
CID 153033677

Frequently Asked Questions

What is the IUPAC name of 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]ethanone?
The IUPAC name of 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]ethanone (CID 159220216) is 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]ethanone.
What is the SMILES notation for 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]ethanone?
The canonical SMILES for 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]ethanone is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)C[C@@H]1c2ccccc2C[C@H]1O.
What is the InChIKey of 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]ethanone?
The InChIKey is KROVPCQSIYNRIH-XMSQKQJNSA-N. The full InChI is InChI=1S/C26H22F2N2O3/c1-15-25(23(32)13-18-17-7-3-2-6-16(17)12-22(18)31)30-11-5-10-24(26(30)29-15)33-14-19-20(27)8-4-9-21(19)28/h2-11,18,22,31H,12-14H2,1H3/t18-,22-/m1/s1.
What are the key properties of 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]ethanone?
1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]ethanone has a molecular weight of 448.47 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 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]-2-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]ethanone is sourced from PubChem (CID 159220216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).