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

C38H51ClMgN6O3 — CID 162037272

IUPACmagnesium;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
SMILESC.C.O=Cc1cccc2cncn12.OC(c1cccc2cncn12)C1CCCCC1.OCc1cccc2cncn12.[CH-]1CCCCC1.[Cl-].[Mg+2]
InChIInChI=1S/C14H18N2O.C8H8N2O.C8H6N2O.C6H11.2CH4.ClH.Mg/c17-14(11-5-2-1-3-6-11)13-8-4-7-12-9-15-10-16(12)13;2*11-5-8-3-1-2-7-4-9-6-10(7)8;1-2-4-6-5-3-1;;;;/h4,7-11,14,17H,1-3,5-6H2;1-4,6,11H,5H2;1-6H;1H,2-6H2;2*1H4;1H;/q;;;-1;;;;+2/p-1
InChIKeyNHJQNNNVJCRTAI-UHFFFAOYSA-M
MW699.62 g/mol
LogP4.97
Rot. Bonds4

About 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

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 (PubChem CID 162037272) has the molecular formula C38H51ClMgN6O3 and a molecular weight of 699.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemagnesium;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
PubChem CID162037272
Molecular FormulaC38H51ClMgN6O3
Molecular Weight699.62 g/mol
Exact Mass698.36
IUPAC Namemagnesium;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
SMILESC.C.O=Cc1cccc2cncn12.OC(c1cccc2cncn12)C1CCCCC1.OCc1cccc2cncn12.[CH-]1CCCCC1.[Cl-].[Mg+2]
InChIInChI=1S/C14H18N2O.C8H8N2O.C8H6N2O.C6H11.2CH4.ClH.Mg/c17-14(11-5-2-1-3-6-11)13-8-4-7-12-9-15-10-16(12)13;2*11-5-8-3-1-2-7-4-9-6-10(7)8;1-2-4-6-5-3-1;;;;/h4,7-11,14,17H,1-3,5-6H2;1-4,6,11H,5H2;1-6H;1H,2-6H2;2*1H4;1H;/q;;;-1;;;;+2/p-1
InChIKeyNHJQNNNVJCRTAI-UHFFFAOYSA-M
XLogP4.97
TPSA109.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500699.62
LogP ≤ 54.97
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(imidazo[1,5-a]pyridin-5-yl)methanol;imidazo[1,5-a]pyridine-5-carbaldehyde;imidazo[1,5-a]pyridin-5-ylmethanol;methane;chloride with MolForge

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Related Compounds

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CID 157525836
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3-[hydroxy-(5-methyl-1-tritylimidazol-4-yl)methyl]-10-propyl-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one
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10-ethyl-3-[hydroxy-(5-methyl-1-tritylimidazol-4-yl)methyl]-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one
CID 70043654
3-[hydroxy-(5-methyl-1-tritylimidazol-4-yl)methyl]-10-methyl-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one
CID 70043808
7-(6-Morpholin-4-yl-3-pyridinyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxylic acid
CID 121440160
4-[4-[(6-Cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]benzaldehyde
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Cyclohexyl-[6-[1-[4-[hydroxy-(6-prop-1-en-2-ylimidazo[1,5-a]pyridin-5-yl)methyl]cyclohexyl]propan-2-yl]imidazo[1,5-a]pyridin-5-yl]methanol
CID 138612198
(7-Chloroimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanol;(7-chloro-1-methylimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanone
CID 145166913
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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.O=Cc1cccc2cncn12.OC(c1cccc2cncn12)C1CCCCC1.OCc1cccc2cncn12.[CH-]1CCCCC1.[Cl-].[Mg+2].
What is the InChIKey of 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?
The InChIKey is NHJQNNNVJCRTAI-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H18N2O.C8H8N2O.C8H6N2O.C6H11.2CH4.ClH.Mg/c17-14(11-5-2-1-3-6-11)13-8-4-7-12-9-15-10-16(12)13;2*11-5-8-3-1-2-7-4-9-6-10(7)8;1-2-4-6-5-3-1;;;;/h4,7-11,14,17H,1-3,5-6H2;1-4,6,11H,5H2;1-6H;1H,2-6H2;2*1H4;1H;/q;;;-1;;;;+2/p-1.
What are the key properties of 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?
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 has a molecular weight of 699.62 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162037272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).