magnesium;cyclohexane;cyclohexyl-(6,7,8-trichloroimidazo[1,5-a]pyridin-5-yl)methanol;ethyl 6,7,8-trichloroimidazo[1,5-a]pyridine-5-carboxylate;methane;6,7,8-trichloroimidazo[1,5-a]pyridine-5-carbaldehyde;(6,7,8-trichloroimidazo[1,5-a]pyridin-5-yl)methanol;chloride

C47H45Cl13MgN8O5 — CID 161002995

IUPACmagnesium;cyclohexane;cyclohexyl-(6,7,8-trichloroimidazo[1,5-a]pyridin-5-yl)methanol;ethyl 6,7,8-trichloroimidazo[1,5-a]pyridine-5-carboxylate;methane;6,7,8-trichloroimidazo[1,5-a]pyridine-5-carbaldehyde;(6,7,8-trichloroimidazo[1,5-a]pyridin-5-yl)methanol;chloride
SMILESC.CCOC(=O)c1c(Cl)c(Cl)c(Cl)c2cncn12.O=Cc1c(Cl)c(Cl)c(Cl)c2cncn12.OC(c1c(Cl)c(Cl)c(Cl)c2cncn12)C1CCCCC1.OCc1c(Cl)c(Cl)c(Cl)c2cncn12.[CH-]1CCCCC1.[Cl-].[Mg+2]
InChIInChI=1S/C14H15Cl3N2O.C10H7Cl3N2O2.C8H5Cl3N2O.C8H3Cl3N2O.C6H11.CH4.ClH.Mg/c15-10-9-6-18-7-19(9)13(12(17)11(10)16)14(20)8-4-2-1-3-5-8;1-2-17-10(16)9-8(13)7(12)6(11)5-3-14-4-15(5)9;2*9-6-4-1-12-3-13(4)5(2-14)7(10)8(6)11;1-2-4-6-5-3-1;;;/h6-8,14,20H,1-5H2;3-4H,2H2,1H3;1,3,14H,2H2;1-3H;1H,2-6H2;1H4;1H;/q;;;;-1;;;+2/p-1
InChIKeyYUJJDYDBXDEVCT-UHFFFAOYSA-M
MW1287.12 g/mol
LogP13.69
Rot. Bonds6

About magnesium;cyclohexane;cyclohexyl-(6,7,8-trichloroimidazo[1,5-a]pyridin-5-yl)methanol;ethyl 6,7,8-trichloroimidazo[1,5-a]pyridine-5-carboxylate;methane;6,7,8-trichloroimidazo[1,5-a]pyridine-5-carbaldehyde;(6,7,8-trichloroimidazo[1,5-a]pyridin-5-yl)methanol;chloride

magnesium;cyclohexane;cyclohexyl-(6,7,8-trichloroimidazo[1,5-a]pyridin-5-yl)methanol;ethyl 6,7,8-trichloroimidazo[1,5-a]pyridine-5-carboxylate;methane;6,7,8-trichloroimidazo[1,5-a]pyridine-5-carbaldehyde;(6,7,8-trichloroimidazo[1,5-a]pyridin-5-yl)methanol;chloride (PubChem CID 161002995) has the molecular formula C47H45Cl13MgN8O5 and a molecular weight of 1287.12 g/mol. Its IUPAC name is magnesium;cyclohexane;cyclohexyl-(6,7,8-trichloroimidazo[1,5-a]pyridin-5-yl)methanol;ethyl 6,7,8-trichloroimidazo[1,5-a]pyridine-5-carboxylate;methane;6,7,8-trichloroimidazo[1,5-a]pyridine-5-carbaldehyde;(6,7,8-trichloroimidazo[1,5-a]pyridin-5-yl)methanol;chloride.

Molecular Properties

Compound Namemagnesium;cyclohexane;cyclohexyl-(6,7,8-trichloroimidazo[1,5-a]pyridin-5-yl)methanol;ethyl 6,7,8-trichloroimidazo[1,5-a]pyridine-5-carboxylate;methane;6,7,8-trichloroimidazo[1,5-a]pyridine-5-carbaldehyde;(6,7,8-trichloroimidazo[1,5-a]pyridin-5-yl)methanol;chloride
PubChem CID161002995
Molecular FormulaC47H45Cl13MgN8O5
Molecular Weight1287.12 g/mol
Exact Mass1279.93
IUPAC Namemagnesium;cyclohexane;cyclohexyl-(6,7,8-trichloroimidazo[1,5-a]pyridin-5-yl)methanol;ethyl 6,7,8-trichloroimidazo[1,5-a]pyridine-5-carboxylate;methane;6,7,8-trichloroimidazo[1,5-a]pyridine-5-carbaldehyde;(6,7,8-trichloroimidazo[1,5-a]pyridin-5-yl)methanol;chloride
SMILESC.CCOC(=O)c1c(Cl)c(Cl)c(Cl)c2cncn12.O=Cc1c(Cl)c(Cl)c(Cl)c2cncn12.OC(c1c(Cl)c(Cl)c(Cl)c2cncn12)C1CCCCC1.OCc1c(Cl)c(Cl)c(Cl)c2cncn12.[CH-]1CCCCC1.[Cl-].[Mg+2]
InChIInChI=1S/C14H15Cl3N2O.C10H7Cl3N2O2.C8H5Cl3N2O.C8H3Cl3N2O.C6H11.CH4.ClH.Mg/c15-10-9-6-18-7-19(9)13(12(17)11(10)16)14(20)8-4-2-1-3-5-8;1-2-17-10(16)9-8(13)7(12)6(11)5-3-14-4-15(5)9;2*9-6-4-1-12-3-13(4)5(2-14)7(10)8(6)11;1-2-4-6-5-3-1;;;/h6-8,14,20H,1-5H2;3-4H,2H2,1H3;1,3,14H,2H2;1-3H;1H,2-6H2;1H4;1H;/q;;;;-1;;;+2/p-1
InChIKeyYUJJDYDBXDEVCT-UHFFFAOYSA-M
XLogP13.69
TPSA153.03 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001287.12
LogP ≤ 513.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze magnesium;cyclohexane;cyclohexyl-(6,7,8-trichloroimidazo[1,5-a]pyridin-5-yl)methanol;ethyl 6,7,8-trichloroimidazo[1,5-a]pyridine-5-carboxylate;methane;6,7,8-trichloroimidazo[1,5-a]pyridine-5-carbaldehyde;(6,7,8-trichloroimidazo[1,5-a]pyridin-5-yl)methanol;chloride with MolForge

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Related Compounds

CID 157230314
CID 157230314
CID 157664580
CID 157664580
CID 158590494
CID 158590494
lithium;magnesium;7-chloro-5-(cyclohexylmethyl)imidazo[1,5-a]pyridine;7-chloroimidazo[1,5-a]pyridine-5-carboxylic acid;(7-chloroimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanone;7-chloro-N-methoxy-N-methylimidazo[1,5-a]pyridine-5-carboxamide;cyclohexane;ethyl 7-chloroimidazo[1,5-a]pyridine-5-carboxylate;hydrazine;methane;methoxyethane;chloride;hydroxide;dihydrate
CID 159430187
CID 159752192
CID 159752192
lithium;magnesium;7-chloro-5-(cyclohexylmethyl)imidazo[1,5-a]pyridine;7-chloroimidazo[1,5-a]pyridine-5-carboxylic acid;(7-chloroimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanone;7-chloro-N-methoxy-N-methylimidazo[1,5-a]pyridine-5-carboxamide;cyclohexane;ethyl 7-chloroimidazo[1,5-a]pyridine-5-carboxylate;hydrazine;methane;methoxyethane;chloride;hydroxide;dihydrate
CID 160567395
6-Chloroimidazo[1,5-a]pyridine-5-carbaldehyde;cyclohexyl-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)methanol;6-cyclopropylimidazo[1,5-a]pyridine-5-carbaldehyde;methane
CID 160572091
CID 161154067
CID 161154067
CID 161714462
CID 161714462
CID 161870631
CID 161870631
Magnesium;6-chloroimidazo[1,5-a]pyridine-5-carbaldehyde;(6-chloroimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanol;cyclohexane;methane;bromide
CID 161931771
Magnesium;cyclohexane;cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanol;imidazo[1,5-a]pyridine-5-carbaldehyde;imidazo[1,5-a]pyridin-5-ylmethanol;methane;chloride
CID 162037272

Frequently Asked Questions

What is the IUPAC name of magnesium;cyclohexane;cyclohexyl-(6,7,8-trichloroimidazo[1,5-a]pyridin-5-yl)methanol;ethyl 6,7,8-trichloroimidazo[1,5-a]pyridine-5-carboxylate;methane;6,7,8-trichloroimidazo[1,5-a]pyridine-5-carbaldehyde;(6,7,8-trichloroimidazo[1,5-a]pyridin-5-yl)methanol;chloride?
The IUPAC name of magnesium;cyclohexane;cyclohexyl-(6,7,8-trichloroimidazo[1,5-a]pyridin-5-yl)methanol;ethyl 6,7,8-trichloroimidazo[1,5-a]pyridine-5-carboxylate;methane;6,7,8-trichloroimidazo[1,5-a]pyridine-5-carbaldehyde;(6,7,8-trichloroimidazo[1,5-a]pyridin-5-yl)methanol;chloride (CID 161002995) is magnesium;cyclohexane;cyclohexyl-(6,7,8-trichloroimidazo[1,5-a]pyridin-5-yl)methanol;ethyl 6,7,8-trichloroimidazo[1,5-a]pyridine-5-carboxylate;methane;6,7,8-trichloroimidazo[1,5-a]pyridine-5-carbaldehyde;(6,7,8-trichloroimidazo[1,5-a]pyridin-5-yl)methanol;chloride.
What is the SMILES notation for magnesium;cyclohexane;cyclohexyl-(6,7,8-trichloroimidazo[1,5-a]pyridin-5-yl)methanol;ethyl 6,7,8-trichloroimidazo[1,5-a]pyridine-5-carboxylate;methane;6,7,8-trichloroimidazo[1,5-a]pyridine-5-carbaldehyde;(6,7,8-trichloroimidazo[1,5-a]pyridin-5-yl)methanol;chloride?
The canonical SMILES for magnesium;cyclohexane;cyclohexyl-(6,7,8-trichloroimidazo[1,5-a]pyridin-5-yl)methanol;ethyl 6,7,8-trichloroimidazo[1,5-a]pyridine-5-carboxylate;methane;6,7,8-trichloroimidazo[1,5-a]pyridine-5-carbaldehyde;(6,7,8-trichloroimidazo[1,5-a]pyridin-5-yl)methanol;chloride is C.CCOC(=O)c1c(Cl)c(Cl)c(Cl)c2cncn12.O=Cc1c(Cl)c(Cl)c(Cl)c2cncn12.OC(c1c(Cl)c(Cl)c(Cl)c2cncn12)C1CCCCC1.OCc1c(Cl)c(Cl)c(Cl)c2cncn12.[CH-]1CCCCC1.[Cl-].[Mg+2].
What is the InChIKey of magnesium;cyclohexane;cyclohexyl-(6,7,8-trichloroimidazo[1,5-a]pyridin-5-yl)methanol;ethyl 6,7,8-trichloroimidazo[1,5-a]pyridine-5-carboxylate;methane;6,7,8-trichloroimidazo[1,5-a]pyridine-5-carbaldehyde;(6,7,8-trichloroimidazo[1,5-a]pyridin-5-yl)methanol;chloride?
The InChIKey is YUJJDYDBXDEVCT-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H15Cl3N2O.C10H7Cl3N2O2.C8H5Cl3N2O.C8H3Cl3N2O.C6H11.CH4.ClH.Mg/c15-10-9-6-18-7-19(9)13(12(17)11(10)16)14(20)8-4-2-1-3-5-8;1-2-17-10(16)9-8(13)7(12)6(11)5-3-14-4-15(5)9;2*9-6-4-1-12-3-13(4)5(2-14)7(10)8(6)11;1-2-4-6-5-3-1;;;/h6-8,14,20H,1-5H2;3-4H,2H2,1H3;1,3,14H,2H2;1-3H;1H,2-6H2;1H4;1H;/q;;;;-1;;;+2/p-1.
What are the key properties of magnesium;cyclohexane;cyclohexyl-(6,7,8-trichloroimidazo[1,5-a]pyridin-5-yl)methanol;ethyl 6,7,8-trichloroimidazo[1,5-a]pyridine-5-carboxylate;methane;6,7,8-trichloroimidazo[1,5-a]pyridine-5-carbaldehyde;(6,7,8-trichloroimidazo[1,5-a]pyridin-5-yl)methanol;chloride?
magnesium;cyclohexane;cyclohexyl-(6,7,8-trichloroimidazo[1,5-a]pyridin-5-yl)methanol;ethyl 6,7,8-trichloroimidazo[1,5-a]pyridine-5-carboxylate;methane;6,7,8-trichloroimidazo[1,5-a]pyridine-5-carbaldehyde;(6,7,8-trichloroimidazo[1,5-a]pyridin-5-yl)methanol;chloride has a molecular weight of 1287.12 g/mol, XLogP of 13.69, 6 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;cyclohexane;cyclohexyl-(6,7,8-trichloroimidazo[1,5-a]pyridin-5-yl)methanol;ethyl 6,7,8-trichloroimidazo[1,5-a]pyridine-5-carboxylate;methane;6,7,8-trichloroimidazo[1,5-a]pyridine-5-carbaldehyde;(6,7,8-trichloroimidazo[1,5-a]pyridin-5-yl)methanol;chloride is sourced from PubChem (CID 161002995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).