(3R)-1-[8-[(1-fluorocyclohexyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-phenylbutan-1-one

C25H29FN2O3 — CID 159231447

IUPAC(3R)-1-[8-[(1-fluorocyclohexyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-phenylbutan-1-one
SMILESCc1nc2c(OCC3(F)CCCCC3)cccn2c1C(=O)C[C@@H](CO)c1ccccc1
InChIInChI=1S/C25H29FN2O3/c1-18-23(21(30)15-20(16-29)19-9-4-2-5-10-19)28-14-8-11-22(24(28)27-18)31-17-25(26)12-6-3-7-13-25/h2,4-5,8-11,14,20,29H,3,6-7,12-13,15-17H2,1H3/t20-/m0/s1
InChIKeyKSYMCRMERJEZSX-FQEVSTJZSA-N
MW424.52 g/mol
LogP5.04
Rot. Bonds8

About (3R)-1-[8-[(1-fluorocyclohexyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-phenylbutan-1-one

(3R)-1-[8-[(1-fluorocyclohexyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-phenylbutan-1-one (PubChem CID 159231447) has the molecular formula C25H29FN2O3 and a molecular weight of 424.52 g/mol. Its IUPAC name is (3R)-1-[8-[(1-fluorocyclohexyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-phenylbutan-1-one.

Molecular Properties

Compound Name(3R)-1-[8-[(1-fluorocyclohexyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-phenylbutan-1-one
PubChem CID159231447
Molecular FormulaC25H29FN2O3
Molecular Weight424.52 g/mol
Exact Mass424.22
IUPAC Name(3R)-1-[8-[(1-fluorocyclohexyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-phenylbutan-1-one
SMILESCc1nc2c(OCC3(F)CCCCC3)cccn2c1C(=O)C[C@@H](CO)c1ccccc1
InChIInChI=1S/C25H29FN2O3/c1-18-23(21(30)15-20(16-29)19-9-4-2-5-10-19)28-14-8-11-22(24(28)27-18)31-17-25(26)12-6-3-7-13-25/h2,4-5,8-11,14,20,29H,3,6-7,12-13,15-17H2,1H3/t20-/m0/s1
InChIKeyKSYMCRMERJEZSX-FQEVSTJZSA-N
XLogP5.04
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.52
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[8-[(3-chlorothiophen-2-yl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-phenylbutan-1-one;hydrochloride
CID 162214206
(2S)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxo-2-phenylbutanoic acid
CID 147175818
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
(3S)-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)butan-1-one
CID 147384263
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methyl-8-(spiro[3.5]nonan-7-ylmethoxy)imidazo[1,2-a]pyridine-3-carboxamide
CID 90090874
carbon dioxide;(3S)-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-3-methyl-4-phenylbutan-1-one
CID 159219482
2-(4-bromophenyl)-4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxobutanoic acid
CID 159230015
(3S)-5-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-5-oxo-3-thiophen-3-ylpentanoic acid
CID 157090217
(3S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(hydroxymethyl)hexan-1-one
CID 147859544
(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-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;dihydrochloride
CID 90072983

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[8-[(1-fluorocyclohexyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-phenylbutan-1-one?
The IUPAC name of (3R)-1-[8-[(1-fluorocyclohexyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-phenylbutan-1-one (CID 159231447) is (3R)-1-[8-[(1-fluorocyclohexyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-phenylbutan-1-one.
What is the SMILES notation for (3R)-1-[8-[(1-fluorocyclohexyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-phenylbutan-1-one?
The canonical SMILES for (3R)-1-[8-[(1-fluorocyclohexyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-phenylbutan-1-one is Cc1nc2c(OCC3(F)CCCCC3)cccn2c1C(=O)C[C@@H](CO)c1ccccc1.
What is the InChIKey of (3R)-1-[8-[(1-fluorocyclohexyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-phenylbutan-1-one?
The InChIKey is KSYMCRMERJEZSX-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H29FN2O3/c1-18-23(21(30)15-20(16-29)19-9-4-2-5-10-19)28-14-8-11-22(24(28)27-18)31-17-25(26)12-6-3-7-13-25/h2,4-5,8-11,14,20,29H,3,6-7,12-13,15-17H2,1H3/t20-/m0/s1.
What are the key properties of (3R)-1-[8-[(1-fluorocyclohexyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-phenylbutan-1-one?
(3R)-1-[8-[(1-fluorocyclohexyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-phenylbutan-1-one has a molecular weight of 424.52 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[8-[(1-fluorocyclohexyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-phenylbutan-1-one is sourced from PubChem (CID 159231447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).