magnesium;cyclohexane;cyclohexyl-(8-fluoroimidazo[1,5-a]pyridin-5-yl)methanol;8-fluoroimidazo[1,5-a]pyridine-5-carbaldehyde;(8-fluoroimidazo[1,5-a]pyridin-5-yl)methanol;methane;chloride

C38H48ClF3MgN6O3 — CID 159613862

IUPACmagnesium;cyclohexane;cyclohexyl-(8-fluoroimidazo[1,5-a]pyridin-5-yl)methanol;8-fluoroimidazo[1,5-a]pyridine-5-carbaldehyde;(8-fluoroimidazo[1,5-a]pyridin-5-yl)methanol;methane;chloride
SMILESC.C.O=Cc1ccc(F)c2cncn12.OC(c1ccc(F)c2cncn12)C1CCCCC1.OCc1ccc(F)c2cncn12.[CH-]1CCCCC1.[Cl-].[Mg+2]
InChIInChI=1S/C14H17FN2O.C8H7FN2O.C8H5FN2O.C6H11.2CH4.ClH.Mg/c15-11-6-7-12(17-9-16-8-13(11)17)14(18)10-4-2-1-3-5-10;2*9-7-2-1-6(4-12)11-5-10-3-8(7)11;1-2-4-6-5-3-1;;;;/h6-10,14,18H,1-5H2;1-3,5,12H,4H2;1-5H;1H,2-6H2;2*1H4;1H;/q;;;-1;;;;+2/p-1
InChIKeySFOAPOPAIWVSBP-UHFFFAOYSA-M
MW753.59 g/mol
LogP5.39
Rot. Bonds4

About magnesium;cyclohexane;cyclohexyl-(8-fluoroimidazo[1,5-a]pyridin-5-yl)methanol;8-fluoroimidazo[1,5-a]pyridine-5-carbaldehyde;(8-fluoroimidazo[1,5-a]pyridin-5-yl)methanol;methane;chloride

magnesium;cyclohexane;cyclohexyl-(8-fluoroimidazo[1,5-a]pyridin-5-yl)methanol;8-fluoroimidazo[1,5-a]pyridine-5-carbaldehyde;(8-fluoroimidazo[1,5-a]pyridin-5-yl)methanol;methane;chloride (PubChem CID 159613862) has the molecular formula C38H48ClF3MgN6O3 and a molecular weight of 753.59 g/mol. Its IUPAC name is magnesium;cyclohexane;cyclohexyl-(8-fluoroimidazo[1,5-a]pyridin-5-yl)methanol;8-fluoroimidazo[1,5-a]pyridine-5-carbaldehyde;(8-fluoroimidazo[1,5-a]pyridin-5-yl)methanol;methane;chloride.

Molecular Properties

Compound Namemagnesium;cyclohexane;cyclohexyl-(8-fluoroimidazo[1,5-a]pyridin-5-yl)methanol;8-fluoroimidazo[1,5-a]pyridine-5-carbaldehyde;(8-fluoroimidazo[1,5-a]pyridin-5-yl)methanol;methane;chloride
PubChem CID159613862
Molecular FormulaC38H48ClF3MgN6O3
Molecular Weight753.59 g/mol
Exact Mass752.33
IUPAC Namemagnesium;cyclohexane;cyclohexyl-(8-fluoroimidazo[1,5-a]pyridin-5-yl)methanol;8-fluoroimidazo[1,5-a]pyridine-5-carbaldehyde;(8-fluoroimidazo[1,5-a]pyridin-5-yl)methanol;methane;chloride
SMILESC.C.O=Cc1ccc(F)c2cncn12.OC(c1ccc(F)c2cncn12)C1CCCCC1.OCc1ccc(F)c2cncn12.[CH-]1CCCCC1.[Cl-].[Mg+2]
InChIInChI=1S/C14H17FN2O.C8H7FN2O.C8H5FN2O.C6H11.2CH4.ClH.Mg/c15-11-6-7-12(17-9-16-8-13(11)17)14(18)10-4-2-1-3-5-10;2*9-7-2-1-6(4-12)11-5-10-3-8(7)11;1-2-4-6-5-3-1;;;;/h6-10,14,18H,1-5H2;1-3,5,12H,4H2;1-5H;1H,2-6H2;2*1H4;1H;/q;;;-1;;;;+2/p-1
InChIKeySFOAPOPAIWVSBP-UHFFFAOYSA-M
XLogP5.39
TPSA109.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.59
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze magnesium;cyclohexane;cyclohexyl-(8-fluoroimidazo[1,5-a]pyridin-5-yl)methanol;8-fluoroimidazo[1,5-a]pyridine-5-carbaldehyde;(8-fluoroimidazo[1,5-a]pyridin-5-yl)methanol;methane;chloride with MolForge

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Related Compounds

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CID 157525836
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CID 161913149
6-[[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-bis(1-methylimidazol-2-yl)methyl]pyridine-2-carboxylic acid;platinum
CID 136003612
(7-Chloroimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanol;(7-chloro-1-methylimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanone
CID 145166913
[7-Chloro-1-[[3-[(7-chloroimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]methyl]imidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanone
CID 155329567
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CID 157091211
9-[3-[6-(3-Carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-5-propan-2-ylpyrazine;iridium;pyridine-2-carboxylic acid
CID 157322375
2,6-dipyridin-2-ylpyridine;4-ethyl-2-(4-ethyl-2-pyridinyl)pyridine;2-(3-methyl-2H-imidazol-1-yl)pyrazine;6-methylpyridine-2-carboxylate;1-methyl-3-pyridin-2-yl-2H-benzimidazole;1-methyl-3-pyridin-3-yl-2H-benzimidazole;pentane-2,4-diol;2-pyrazin-2-ylpyrazine;2-pyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine
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CID 157723753
CID 157723753
4-[4-[(R)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]benzoic acid;4-[4-[(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]benzoic acid
CID 157886341
CID 158356210
CID 158356210
Methyl 4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzoate;4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzoic acid;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid
CID 158596879

Frequently Asked Questions

What is the IUPAC name of magnesium;cyclohexane;cyclohexyl-(8-fluoroimidazo[1,5-a]pyridin-5-yl)methanol;8-fluoroimidazo[1,5-a]pyridine-5-carbaldehyde;(8-fluoroimidazo[1,5-a]pyridin-5-yl)methanol;methane;chloride?
The IUPAC name of magnesium;cyclohexane;cyclohexyl-(8-fluoroimidazo[1,5-a]pyridin-5-yl)methanol;8-fluoroimidazo[1,5-a]pyridine-5-carbaldehyde;(8-fluoroimidazo[1,5-a]pyridin-5-yl)methanol;methane;chloride (CID 159613862) is magnesium;cyclohexane;cyclohexyl-(8-fluoroimidazo[1,5-a]pyridin-5-yl)methanol;8-fluoroimidazo[1,5-a]pyridine-5-carbaldehyde;(8-fluoroimidazo[1,5-a]pyridin-5-yl)methanol;methane;chloride.
What is the SMILES notation for magnesium;cyclohexane;cyclohexyl-(8-fluoroimidazo[1,5-a]pyridin-5-yl)methanol;8-fluoroimidazo[1,5-a]pyridine-5-carbaldehyde;(8-fluoroimidazo[1,5-a]pyridin-5-yl)methanol;methane;chloride?
The canonical SMILES for magnesium;cyclohexane;cyclohexyl-(8-fluoroimidazo[1,5-a]pyridin-5-yl)methanol;8-fluoroimidazo[1,5-a]pyridine-5-carbaldehyde;(8-fluoroimidazo[1,5-a]pyridin-5-yl)methanol;methane;chloride is C.C.O=Cc1ccc(F)c2cncn12.OC(c1ccc(F)c2cncn12)C1CCCCC1.OCc1ccc(F)c2cncn12.[CH-]1CCCCC1.[Cl-].[Mg+2].
What is the InChIKey of magnesium;cyclohexane;cyclohexyl-(8-fluoroimidazo[1,5-a]pyridin-5-yl)methanol;8-fluoroimidazo[1,5-a]pyridine-5-carbaldehyde;(8-fluoroimidazo[1,5-a]pyridin-5-yl)methanol;methane;chloride?
The InChIKey is SFOAPOPAIWVSBP-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H17FN2O.C8H7FN2O.C8H5FN2O.C6H11.2CH4.ClH.Mg/c15-11-6-7-12(17-9-16-8-13(11)17)14(18)10-4-2-1-3-5-10;2*9-7-2-1-6(4-12)11-5-10-3-8(7)11;1-2-4-6-5-3-1;;;;/h6-10,14,18H,1-5H2;1-3,5,12H,4H2;1-5H;1H,2-6H2;2*1H4;1H;/q;;;-1;;;;+2/p-1.
What are the key properties of magnesium;cyclohexane;cyclohexyl-(8-fluoroimidazo[1,5-a]pyridin-5-yl)methanol;8-fluoroimidazo[1,5-a]pyridine-5-carbaldehyde;(8-fluoroimidazo[1,5-a]pyridin-5-yl)methanol;methane;chloride?
magnesium;cyclohexane;cyclohexyl-(8-fluoroimidazo[1,5-a]pyridin-5-yl)methanol;8-fluoroimidazo[1,5-a]pyridine-5-carbaldehyde;(8-fluoroimidazo[1,5-a]pyridin-5-yl)methanol;methane;chloride has a molecular weight of 753.59 g/mol, XLogP of 5.39, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;cyclohexane;cyclohexyl-(8-fluoroimidazo[1,5-a]pyridin-5-yl)methanol;8-fluoroimidazo[1,5-a]pyridine-5-carbaldehyde;(8-fluoroimidazo[1,5-a]pyridin-5-yl)methanol;methane;chloride is sourced from PubChem (CID 159613862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).