magnesium;cyclohexane;cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanone;5-(cyclohexylmethyl)imidazo[1,5-a]pyridine;ethane-1,2-diol;ethyl imidazo[1,5-a]pyridine-5-carboxylate;hydrazine;imidazo[1,5-a]pyridine-5-carboxylic acid;methane;methoxyethane;N-methoxy-N-methylimidazo[1,5-a]pyridine-5-carboxamide;chloride;hydrate

C69H100ClMgN13O11 — CID 159496953

IUPACmagnesium;cyclohexane;cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanone;5-(cyclohexylmethyl)imidazo[1,5-a]pyridine;ethane-1,2-diol;ethyl imidazo[1,5-a]pyridine-5-carboxylate;hydrazine;imidazo[1,5-a]pyridine-5-carboxylic acid;methane;methoxyethane;N-methoxy-N-methylimidazo[1,5-a]pyridine-5-carboxamide;chloride;hydrate
SMILESC.C.CCOC.CCOC(=O)c1cccc2cncn12.CON(C)C(=O)c1cccc2cncn12.NN.O.O=C(O)c1cccc2cncn12.O=C(c1cccc2cncn12)C1CCCCC1.OCCO.[CH-]1CCCCC1.[Cl-].[Mg+2].c1cc(CC2CCCCC2)n2cncc2c1
InChIInChI=1S/C14H16N2O.C14H18N2.C10H11N3O2.C10H10N2O2.C8H6N2O2.C6H11.C3H8O.C2H6O2.2CH4.ClH.Mg.H4N2.H2O/c17-14(11-5-2-1-3-6-11)13-8-4-7-12-9-15-10-16(12)13;1-2-5-12(6-3-1)9-13-7-4-8-14-10-15-11-16(13)14;1-12(15-2)10(14)9-5-3-4-8-6-11-7-13(8)9;1-2-14-10(13)9-5-3-4-8-6-11-7-12(8)9;11-8(12)7-3-1-2-6-4-9-5-10(6)7;1-2-4-6-5-3-1;1-3-4-2;3-1-2-4;;;;;1-2;/h4,7-11H,1-3,5-6H2;4,7-8,10-12H,1-3,5-6,9H2;3-7H,1-2H3;3-7H,2H2,1H3;1-5H,(H,11,12);1H,2-6H2;3H2,1-2H3;3-4H,1-2H2;2*1H4;1H;;1-2H2;1H2/q;;;;;-1;;;;;;+2;;/p-1
InChIKeyFRTPHLSRWXHWFG-UHFFFAOYSA-M
MW1347.40 g/mol
LogP7.73
Rot. Bonds11

About magnesium;cyclohexane;cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanone;5-(cyclohexylmethyl)imidazo[1,5-a]pyridine;ethane-1,2-diol;ethyl imidazo[1,5-a]pyridine-5-carboxylate;hydrazine;imidazo[1,5-a]pyridine-5-carboxylic acid;methane;methoxyethane;N-methoxy-N-methylimidazo[1,5-a]pyridine-5-carboxamide;chloride;hydrate

magnesium;cyclohexane;cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanone;5-(cyclohexylmethyl)imidazo[1,5-a]pyridine;ethane-1,2-diol;ethyl imidazo[1,5-a]pyridine-5-carboxylate;hydrazine;imidazo[1,5-a]pyridine-5-carboxylic acid;methane;methoxyethane;N-methoxy-N-methylimidazo[1,5-a]pyridine-5-carboxamide;chloride;hydrate (PubChem CID 159496953) has the molecular formula C69H100ClMgN13O11 and a molecular weight of 1347.40 g/mol. Its IUPAC name is magnesium;cyclohexane;cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanone;5-(cyclohexylmethyl)imidazo[1,5-a]pyridine;ethane-1,2-diol;ethyl imidazo[1,5-a]pyridine-5-carboxylate;hydrazine;imidazo[1,5-a]pyridine-5-carboxylic acid;methane;methoxyethane;N-methoxy-N-methylimidazo[1,5-a]pyridine-5-carboxamide;chloride;hydrate.

Molecular Properties

Compound Namemagnesium;cyclohexane;cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanone;5-(cyclohexylmethyl)imidazo[1,5-a]pyridine;ethane-1,2-diol;ethyl imidazo[1,5-a]pyridine-5-carboxylate;hydrazine;imidazo[1,5-a]pyridine-5-carboxylic acid;methane;methoxyethane;N-methoxy-N-methylimidazo[1,5-a]pyridine-5-carboxamide;chloride;hydrate
PubChem CID159496953
Molecular FormulaC69H100ClMgN13O11
Molecular Weight1347.40 g/mol
Exact Mass1345.72
IUPAC Namemagnesium;cyclohexane;cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanone;5-(cyclohexylmethyl)imidazo[1,5-a]pyridine;ethane-1,2-diol;ethyl imidazo[1,5-a]pyridine-5-carboxylate;hydrazine;imidazo[1,5-a]pyridine-5-carboxylic acid;methane;methoxyethane;N-methoxy-N-methylimidazo[1,5-a]pyridine-5-carboxamide;chloride;hydrate
SMILESC.C.CCOC.CCOC(=O)c1cccc2cncn12.CON(C)C(=O)c1cccc2cncn12.NN.O.O=C(O)c1cccc2cncn12.O=C(c1cccc2cncn12)C1CCCCC1.OCCO.[CH-]1CCCCC1.[Cl-].[Mg+2].c1cc(CC2CCCCC2)n2cncc2c1
InChIInChI=1S/C14H16N2O.C14H18N2.C10H11N3O2.C10H10N2O2.C8H6N2O2.C6H11.C3H8O.C2H6O2.2CH4.ClH.Mg.H4N2.H2O/c17-14(11-5-2-1-3-6-11)13-8-4-7-12-9-15-10-16(12)13;1-2-5-12(6-3-1)9-13-7-4-8-14-10-15-11-16(13)14;1-12(15-2)10(14)9-5-3-4-8-6-11-7-13(8)9;1-2-14-10(13)9-5-3-4-8-6-11-7-12(8)9;11-8(12)7-3-1-2-6-4-9-5-10(6)7;1-2-4-6-5-3-1;1-3-4-2;3-1-2-4;;;;;1-2;/h4,7-11H,1-3,5-6H2;4,7-8,10-12H,1-3,5-6,9H2;3-7H,1-2H3;3-7H,2H2,1H3;1-5H,(H,11,12);1H,2-6H2;3H2,1-2H3;3-4H,1-2H2;2*1H4;1H;;1-2H2;1H2/q;;;;;-1;;;;;;+2;;/p-1
InChIKeyFRTPHLSRWXHWFG-UHFFFAOYSA-M
XLogP7.73
TPSA329.94 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds11
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001347.40
LogP ≤ 57.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze magnesium;cyclohexane;cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanone;5-(cyclohexylmethyl)imidazo[1,5-a]pyridine;ethane-1,2-diol;ethyl imidazo[1,5-a]pyridine-5-carboxylate;hydrazine;imidazo[1,5-a]pyridine-5-carboxylic acid;methane;methoxyethane;N-methoxy-N-methylimidazo[1,5-a]pyridine-5-carboxamide;chloride;hydrate with MolForge

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Related Compounds

CID 158072096
CID 158072096
CID 160286167
CID 160286167
CID 157664580
CID 157664580
1,3-Bis(7-phenylimidazo[1,5-a]pyridin-5-yl)propan-2-one;methyl 6-(aminomethyl)-4-phenylpyridine-2-carboxylate;methyl 6-(3-oxopropyl)-4-phenylpyridine-2-carboxylate;methyl 7-phenylimidazo[1,5-a]pyridine-5-carboxylate;7-phenylimidazo[1,5-a]pyridine-5-carboxylic acid
CID 157929061
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
6-Bromoimidazo[1,5-a]pyridine-5-carbaldehyde;(6-bromoimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanol;(6-bromoimidazo[1,5-a]pyridin-5-yl)methanol;ethyl 6-(aminomethyl)-3-bromopyridine-2-carboxylate;ethyl 3-bromo-6-(1,3-dioxoisoindole-2-carbonyl)pyridine-2-carboxylate;ethyl 3-bromo-6-(formamidomethyl)pyridine-2-carboxylate;ethyl 6-bromoimidazo[1,5-a]pyridine-5-carboxylate;methane
CID 159594167
6-Bromoimidazo[1,5-a]pyridine-5-carbaldehyde;(6-bromoimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanol;(6-bromoimidazo[1,5-a]pyridin-5-yl)methanol;ethyl 6-(aminomethyl)-3-bromopyridine-2-carboxylate;ethyl 3-bromo-6-(formamidomethyl)pyridine-2-carboxylate;ethyl 6-bromoimidazo[1,5-a]pyridine-5-carboxylate;methane
CID 160188406
magnesium;cyclohexane;cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanone;5-(cyclohexylmethyl)imidazo[1,5-a]pyridine;ethane-1,2-diol;ethyl imidazo[1,5-a]pyridine-5-carboxylate;hydrazine;imidazo[1,5-a]pyridine-5-carboxylic acid;methane;methoxyethane;N-methoxy-N-methylimidazo[1,5-a]pyridine-5-carboxamide;chloride;hydrate
CID 160274753
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
CID 160741423
CID 160741423
CID 161714462
CID 161714462

Frequently Asked Questions

What is the IUPAC name of magnesium;cyclohexane;cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanone;5-(cyclohexylmethyl)imidazo[1,5-a]pyridine;ethane-1,2-diol;ethyl imidazo[1,5-a]pyridine-5-carboxylate;hydrazine;imidazo[1,5-a]pyridine-5-carboxylic acid;methane;methoxyethane;N-methoxy-N-methylimidazo[1,5-a]pyridine-5-carboxamide;chloride;hydrate?
The IUPAC name of magnesium;cyclohexane;cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanone;5-(cyclohexylmethyl)imidazo[1,5-a]pyridine;ethane-1,2-diol;ethyl imidazo[1,5-a]pyridine-5-carboxylate;hydrazine;imidazo[1,5-a]pyridine-5-carboxylic acid;methane;methoxyethane;N-methoxy-N-methylimidazo[1,5-a]pyridine-5-carboxamide;chloride;hydrate (CID 159496953) is magnesium;cyclohexane;cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanone;5-(cyclohexylmethyl)imidazo[1,5-a]pyridine;ethane-1,2-diol;ethyl imidazo[1,5-a]pyridine-5-carboxylate;hydrazine;imidazo[1,5-a]pyridine-5-carboxylic acid;methane;methoxyethane;N-methoxy-N-methylimidazo[1,5-a]pyridine-5-carboxamide;chloride;hydrate.
What is the SMILES notation for magnesium;cyclohexane;cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanone;5-(cyclohexylmethyl)imidazo[1,5-a]pyridine;ethane-1,2-diol;ethyl imidazo[1,5-a]pyridine-5-carboxylate;hydrazine;imidazo[1,5-a]pyridine-5-carboxylic acid;methane;methoxyethane;N-methoxy-N-methylimidazo[1,5-a]pyridine-5-carboxamide;chloride;hydrate?
The canonical SMILES for magnesium;cyclohexane;cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanone;5-(cyclohexylmethyl)imidazo[1,5-a]pyridine;ethane-1,2-diol;ethyl imidazo[1,5-a]pyridine-5-carboxylate;hydrazine;imidazo[1,5-a]pyridine-5-carboxylic acid;methane;methoxyethane;N-methoxy-N-methylimidazo[1,5-a]pyridine-5-carboxamide;chloride;hydrate is C.C.CCOC.CCOC(=O)c1cccc2cncn12.CON(C)C(=O)c1cccc2cncn12.NN.O.O=C(O)c1cccc2cncn12.O=C(c1cccc2cncn12)C1CCCCC1.OCCO.[CH-]1CCCCC1.[Cl-].[Mg+2].c1cc(CC2CCCCC2)n2cncc2c1.
What is the InChIKey of magnesium;cyclohexane;cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanone;5-(cyclohexylmethyl)imidazo[1,5-a]pyridine;ethane-1,2-diol;ethyl imidazo[1,5-a]pyridine-5-carboxylate;hydrazine;imidazo[1,5-a]pyridine-5-carboxylic acid;methane;methoxyethane;N-methoxy-N-methylimidazo[1,5-a]pyridine-5-carboxamide;chloride;hydrate?
The InChIKey is FRTPHLSRWXHWFG-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H16N2O.C14H18N2.C10H11N3O2.C10H10N2O2.C8H6N2O2.C6H11.C3H8O.C2H6O2.2CH4.ClH.Mg.H4N2.H2O/c17-14(11-5-2-1-3-6-11)13-8-4-7-12-9-15-10-16(12)13;1-2-5-12(6-3-1)9-13-7-4-8-14-10-15-11-16(13)14;1-12(15-2)10(14)9-5-3-4-8-6-11-7-13(8)9;1-2-14-10(13)9-5-3-4-8-6-11-7-12(8)9;11-8(12)7-3-1-2-6-4-9-5-10(6)7;1-2-4-6-5-3-1;1-3-4-2;3-1-2-4;;;;;1-2;/h4,7-11H,1-3,5-6H2;4,7-8,10-12H,1-3,5-6,9H2;3-7H,1-2H3;3-7H,2H2,1H3;1-5H,(H,11,12);1H,2-6H2;3H2,1-2H3;3-4H,1-2H2;2*1H4;1H;;1-2H2;1H2/q;;;;;-1;;;;;;+2;;/p-1.
What are the key properties of magnesium;cyclohexane;cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanone;5-(cyclohexylmethyl)imidazo[1,5-a]pyridine;ethane-1,2-diol;ethyl imidazo[1,5-a]pyridine-5-carboxylate;hydrazine;imidazo[1,5-a]pyridine-5-carboxylic acid;methane;methoxyethane;N-methoxy-N-methylimidazo[1,5-a]pyridine-5-carboxamide;chloride;hydrate?
magnesium;cyclohexane;cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanone;5-(cyclohexylmethyl)imidazo[1,5-a]pyridine;ethane-1,2-diol;ethyl imidazo[1,5-a]pyridine-5-carboxylate;hydrazine;imidazo[1,5-a]pyridine-5-carboxylic acid;methane;methoxyethane;N-methoxy-N-methylimidazo[1,5-a]pyridine-5-carboxamide;chloride;hydrate has a molecular weight of 1347.40 g/mol, XLogP of 7.73, 11 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;cyclohexane;cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanone;5-(cyclohexylmethyl)imidazo[1,5-a]pyridine;ethane-1,2-diol;ethyl imidazo[1,5-a]pyridine-5-carboxylate;hydrazine;imidazo[1,5-a]pyridine-5-carboxylic acid;methane;methoxyethane;N-methoxy-N-methylimidazo[1,5-a]pyridine-5-carboxamide;chloride;hydrate is sourced from PubChem (CID 159496953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).