(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

C30H30F2N2O4 — CID 148975812

IUPAC(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
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)C[C@@H](C)c1ccccc1[C@@H]1COC(C)(C)O1
InChIInChI=1S/C30H30F2N2O4/c1-18(20-9-5-6-10-21(20)27-17-37-30(3,4)38-27)15-25(35)28-19(2)33-29-26(13-8-14-34(28)29)36-16-22-23(31)11-7-12-24(22)32/h5-14,18,27H,15-17H2,1-4H3/t18-,27+/m1/s1
InChIKeyPUTSWAURVAWUOT-CLYVBNDRSA-N
MW520.58 g/mol
LogP6.70
Rot. Bonds8

About (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

(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 (PubChem CID 148975812) has the molecular formula C30H30F2N2O4 and a molecular weight of 520.58 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID148975812
Molecular FormulaC30H30F2N2O4
Molecular Weight520.58 g/mol
Exact Mass520.22
IUPAC Name(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
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)C[C@@H](C)c1ccccc1[C@@H]1COC(C)(C)O1
InChIInChI=1S/C30H30F2N2O4/c1-18(20-9-5-6-10-21(20)27-17-37-30(3,4)38-27)15-25(35)28-19(2)33-29-26(13-8-14-34(28)29)36-16-22-23(31)11-7-12-24(22)32/h5-14,18,27H,15-17H2,1-4H3/t18-,27+/m1/s1
InChIKeyPUTSWAURVAWUOT-CLYVBNDRSA-N
XLogP6.70
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.58
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Related Compounds

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
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
(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
methyl 2-(4-chlorophenyl)-4-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-oxobutanoate
CID 160620966
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
(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]-N-(3-hydroxy-2-methylbutan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 129268093
8-[(2,6-difluorophenyl)methoxy]-N-(3-hydroxybutyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90135188
1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(4-methylsulfonylphenyl)butan-1-one
CID 158763165
(3S)-5-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-5-oxopentanoic acid
CID 158228961
8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-6-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 86724642

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)C[C@@H](C)c1ccccc1[C@@H]1COC(C)(C)O1.
What is the InChIKey of (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?
The InChIKey is PUTSWAURVAWUOT-CLYVBNDRSA-N. The full InChI is InChI=1S/C30H30F2N2O4/c1-18(20-9-5-6-10-21(20)27-17-37-30(3,4)38-27)15-25(35)28-19(2)33-29-26(13-8-14-34(28)29)36-16-22-23(31)11-7-12-24(22)32/h5-14,18,27H,15-17H2,1-4H3/t18-,27+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 520.58 g/mol, XLogP of 6.70, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 148975812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).