magnesium;disodium;2-(1-azidoethyl)-6-cyclopropylimidazo[1,2-a]pyridine;carbanide;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;6-cyclopropylimidazo[1,2-a]pyridine-2-carbaldehyde;1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethanol;(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methanol;6-cyclopropyl-2-propan-2-ylimidazo[1,2-a]pyridine;5-cyclopropylpyridin-2-amine;1,3-dichloropropan-2-one;ethyl 1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]-4H-triazol-1-ium-4-carboxylate;ethyl prop-2-ynoate;oxido formate;azide;bromide

C105H120BrCl3MgN25Na2O11+ — CID 157396947

IUPACmagnesium;disodium;2-(1-azidoethyl)-6-cyclopropylimidazo[1,2-a]pyridine;carbanide;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;6-cyclopropylimidazo[1,2-a]pyridine-2-carbaldehyde;1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethanol;(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methanol;6-cyclopropyl-2-propan-2-ylimidazo[1,2-a]pyridine;5-cyclopropylpyridin-2-amine;1,3-dichloropropan-2-one;ethyl 1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]-4H-triazol-1-ium-4-carboxylate;ethyl prop-2-ynoate;oxido formate;azide;bromide
SMILESC#CC(=O)OCC.CC(C)c1cn2cc(C3CC3)ccc2n1.CC(N=[N+]=[N-])c1cn2cc(C3CC3)ccc2n1.CC(O)c1cn2cc(C3CC3)ccc2n1.CCOC(=O)C1C=[N+](C(C)c2cn3cc(C4CC4)ccc3n2)N=N1.ClCc1cn2cc(C3CC3)ccc2n1.Nc1ccc(C2CC2)cn1.O=C(CCl)CCl.O=CO[O-].O=Cc1cn2cc(C3CC3)ccc2n1.OCc1cn2cc(C3CC3)ccc2n1.[Br-].[CH3-].[Mg+2].[N-]=[N+]=[N-].[Na+].[Na+]
InChIInChI=1S/C17H20N5O2.C13H16N2.C12H13N5.C12H14N2O.C11H11ClN2.C11H12N2O.C11H10N2O.C8H10N2.C5H6O2.C3H4Cl2O.CH2O3.CH3.BrH.Mg.N3.2Na/c1-3-24-17(23)15-10-22(20-19-15)11(2)14-9-21-8-13(12-4-5-12)6-7-16(21)18-14;1-9(2)12-8-15-7-11(10-3-4-10)5-6-13(15)14-12;1-8(15-16-13)11-7-17-6-10(9-2-3-9)4-5-12(17)14-11;1-8(15)11-7-14-6-10(9-2-3-9)4-5-12(14)13-11;12-5-10-7-14-6-9(8-1-2-8)3-4-11(14)13-10;2*14-7-10-6-13-5-9(8-1-2-8)3-4-11(13)12-10;9-8-4-3-7(5-10-8)6-1-2-6;1-3-5(6)7-4-2;4-1-3(6)2-5;2-1-4-3;;;;1-3-2;;/h6-12,15H,3-5H2,1-2H3;5-10H,3-4H2,1-2H3;4-9H,2-3H2,1H3;4-9,15H,2-3H2,1H3;3-4,6-8H,1-2,5H2;3-6,8,14H,1-2,7H2;3-8H,1-2H2;3-6H,1-2H2,(H2,9,10);1H,4H2,2H3;1-2H2;1,3H;1H3;1H;;;;/q+1;;;;;;;;;;;-1;;+2;-1;2*+1/p-2
InChIKeyCANDVIPKUSRHBI-UHFFFAOYSA-L
MW2164.83 g/mol
LogP11.67
Rot. Bonds23

About magnesium;disodium;2-(1-azidoethyl)-6-cyclopropylimidazo[1,2-a]pyridine;carbanide;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;6-cyclopropylimidazo[1,2-a]pyridine-2-carbaldehyde;1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethanol;(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methanol;6-cyclopropyl-2-propan-2-ylimidazo[1,2-a]pyridine;5-cyclopropylpyridin-2-amine;1,3-dichloropropan-2-one;ethyl 1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]-4H-triazol-1-ium-4-carboxylate;ethyl prop-2-ynoate;oxido formate;azide;bromide

magnesium;disodium;2-(1-azidoethyl)-6-cyclopropylimidazo[1,2-a]pyridine;carbanide;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;6-cyclopropylimidazo[1,2-a]pyridine-2-carbaldehyde;1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethanol;(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methanol;6-cyclopropyl-2-propan-2-ylimidazo[1,2-a]pyridine;5-cyclopropylpyridin-2-amine;1,3-dichloropropan-2-one;ethyl 1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]-4H-triazol-1-ium-4-carboxylate;ethyl prop-2-ynoate;oxido formate;azide;bromide (PubChem CID 157396947) has the molecular formula C105H120BrCl3MgN25Na2O11+ and a molecular weight of 2164.83 g/mol. Its IUPAC name is magnesium;disodium;2-(1-azidoethyl)-6-cyclopropylimidazo[1,2-a]pyridine;carbanide;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;6-cyclopropylimidazo[1,2-a]pyridine-2-carbaldehyde;1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethanol;(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methanol;6-cyclopropyl-2-propan-2-ylimidazo[1,2-a]pyridine;5-cyclopropylpyridin-2-amine;1,3-dichloropropan-2-one;ethyl 1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]-4H-triazol-1-ium-4-carboxylate;ethyl prop-2-ynoate;oxido formate;azide;bromide.

Molecular Properties

Compound Namemagnesium;disodium;2-(1-azidoethyl)-6-cyclopropylimidazo[1,2-a]pyridine;carbanide;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;6-cyclopropylimidazo[1,2-a]pyridine-2-carbaldehyde;1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethanol;(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methanol;6-cyclopropyl-2-propan-2-ylimidazo[1,2-a]pyridine;5-cyclopropylpyridin-2-amine;1,3-dichloropropan-2-one;ethyl 1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]-4H-triazol-1-ium-4-carboxylate;ethyl prop-2-ynoate;oxido formate;azide;bromide
PubChem CID157396947
Molecular FormulaC105H120BrCl3MgN25Na2O11+
Molecular Weight2164.83 g/mol
Exact Mass2160.75
IUPAC Namemagnesium;disodium;2-(1-azidoethyl)-6-cyclopropylimidazo[1,2-a]pyridine;carbanide;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;6-cyclopropylimidazo[1,2-a]pyridine-2-carbaldehyde;1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethanol;(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methanol;6-cyclopropyl-2-propan-2-ylimidazo[1,2-a]pyridine;5-cyclopropylpyridin-2-amine;1,3-dichloropropan-2-one;ethyl 1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]-4H-triazol-1-ium-4-carboxylate;ethyl prop-2-ynoate;oxido formate;azide;bromide
SMILESC#CC(=O)OCC.CC(C)c1cn2cc(C3CC3)ccc2n1.CC(N=[N+]=[N-])c1cn2cc(C3CC3)ccc2n1.CC(O)c1cn2cc(C3CC3)ccc2n1.CCOC(=O)C1C=[N+](C(C)c2cn3cc(C4CC4)ccc3n2)N=N1.ClCc1cn2cc(C3CC3)ccc2n1.Nc1ccc(C2CC2)cn1.O=C(CCl)CCl.O=CO[O-].O=Cc1cn2cc(C3CC3)ccc2n1.OCc1cn2cc(C3CC3)ccc2n1.[Br-].[CH3-].[Mg+2].[N-]=[N+]=[N-].[Na+].[Na+]
InChIInChI=1S/C17H20N5O2.C13H16N2.C12H13N5.C12H14N2O.C11H11ClN2.C11H12N2O.C11H10N2O.C8H10N2.C5H6O2.C3H4Cl2O.CH2O3.CH3.BrH.Mg.N3.2Na/c1-3-24-17(23)15-10-22(20-19-15)11(2)14-9-21-8-13(12-4-5-12)6-7-16(21)18-14;1-9(2)12-8-15-7-11(10-3-4-10)5-6-13(15)14-12;1-8(15-16-13)11-7-17-6-10(9-2-3-9)4-5-12(17)14-11;1-8(15)11-7-14-6-10(9-2-3-9)4-5-12(14)13-11;12-5-10-7-14-6-9(8-1-2-8)3-4-11(14)13-10;2*14-7-10-6-13-5-9(8-1-2-8)3-4-11(13)12-10;9-8-4-3-7(5-10-8)6-1-2-6;1-3-5(6)7-4-2;4-1-3(6)2-5;2-1-4-3;;;;1-3-2;;/h6-12,15H,3-5H2,1-2H3;5-10H,3-4H2,1-2H3;4-9H,2-3H2,1H3;4-9,15H,2-3H2,1H3;3-4,6-8H,1-2,5H2;3-6,8,14H,1-2,7H2;3-8H,1-2H2;3-6H,1-2H2,(H2,9,10);1H,4H2,2H3;1-2H2;1,3H;1H3;1H;;;;/q+1;;;;;;;;;;;-1;;+2;-1;2*+1/p-2
InChIKeyCANDVIPKUSRHBI-UHFFFAOYSA-L
XLogP11.67
TPSA471.76 Ų
H-Bond Donors3
H-Bond Acceptors30
Rotatable Bonds23
Heavy Atoms148
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002164.83
LogP ≤ 511.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze magnesium;disodium;2-(1-azidoethyl)-6-cyclopropylimidazo[1,2-a]pyridine;carbanide;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;6-cyclopropylimidazo[1,2-a]pyridine-2-carbaldehyde;1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethanol;(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methanol;6-cyclopropyl-2-propan-2-ylimidazo[1,2-a]pyridine;5-cyclopropylpyridin-2-amine;1,3-dichloropropan-2-one;ethyl 1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]-4H-triazol-1-ium-4-carboxylate;ethyl prop-2-ynoate;oxido formate;azide;bromide with MolForge

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Frequently Asked Questions

What is the IUPAC name of magnesium;disodium;2-(1-azidoethyl)-6-cyclopropylimidazo[1,2-a]pyridine;carbanide;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;6-cyclopropylimidazo[1,2-a]pyridine-2-carbaldehyde;1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethanol;(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methanol;6-cyclopropyl-2-propan-2-ylimidazo[1,2-a]pyridine;5-cyclopropylpyridin-2-amine;1,3-dichloropropan-2-one;ethyl 1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]-4H-triazol-1-ium-4-carboxylate;ethyl prop-2-ynoate;oxido formate;azide;bromide?
The IUPAC name of magnesium;disodium;2-(1-azidoethyl)-6-cyclopropylimidazo[1,2-a]pyridine;carbanide;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;6-cyclopropylimidazo[1,2-a]pyridine-2-carbaldehyde;1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethanol;(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methanol;6-cyclopropyl-2-propan-2-ylimidazo[1,2-a]pyridine;5-cyclopropylpyridin-2-amine;1,3-dichloropropan-2-one;ethyl 1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]-4H-triazol-1-ium-4-carboxylate;ethyl prop-2-ynoate;oxido formate;azide;bromide (CID 157396947) is magnesium;disodium;2-(1-azidoethyl)-6-cyclopropylimidazo[1,2-a]pyridine;carbanide;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;6-cyclopropylimidazo[1,2-a]pyridine-2-carbaldehyde;1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethanol;(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methanol;6-cyclopropyl-2-propan-2-ylimidazo[1,2-a]pyridine;5-cyclopropylpyridin-2-amine;1,3-dichloropropan-2-one;ethyl 1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]-4H-triazol-1-ium-4-carboxylate;ethyl prop-2-ynoate;oxido formate;azide;bromide.
What is the SMILES notation for magnesium;disodium;2-(1-azidoethyl)-6-cyclopropylimidazo[1,2-a]pyridine;carbanide;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;6-cyclopropylimidazo[1,2-a]pyridine-2-carbaldehyde;1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethanol;(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methanol;6-cyclopropyl-2-propan-2-ylimidazo[1,2-a]pyridine;5-cyclopropylpyridin-2-amine;1,3-dichloropropan-2-one;ethyl 1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]-4H-triazol-1-ium-4-carboxylate;ethyl prop-2-ynoate;oxido formate;azide;bromide?
The canonical SMILES for magnesium;disodium;2-(1-azidoethyl)-6-cyclopropylimidazo[1,2-a]pyridine;carbanide;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;6-cyclopropylimidazo[1,2-a]pyridine-2-carbaldehyde;1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethanol;(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methanol;6-cyclopropyl-2-propan-2-ylimidazo[1,2-a]pyridine;5-cyclopropylpyridin-2-amine;1,3-dichloropropan-2-one;ethyl 1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]-4H-triazol-1-ium-4-carboxylate;ethyl prop-2-ynoate;oxido formate;azide;bromide is C#CC(=O)OCC.CC(C)c1cn2cc(C3CC3)ccc2n1.CC(N=[N+]=[N-])c1cn2cc(C3CC3)ccc2n1.CC(O)c1cn2cc(C3CC3)ccc2n1.CCOC(=O)C1C=[N+](C(C)c2cn3cc(C4CC4)ccc3n2)N=N1.ClCc1cn2cc(C3CC3)ccc2n1.Nc1ccc(C2CC2)cn1.O=C(CCl)CCl.O=CO[O-].O=Cc1cn2cc(C3CC3)ccc2n1.OCc1cn2cc(C3CC3)ccc2n1.[Br-].[CH3-].[Mg+2].[N-]=[N+]=[N-].[Na+].[Na+].
What is the InChIKey of magnesium;disodium;2-(1-azidoethyl)-6-cyclopropylimidazo[1,2-a]pyridine;carbanide;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;6-cyclopropylimidazo[1,2-a]pyridine-2-carbaldehyde;1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethanol;(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methanol;6-cyclopropyl-2-propan-2-ylimidazo[1,2-a]pyridine;5-cyclopropylpyridin-2-amine;1,3-dichloropropan-2-one;ethyl 1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]-4H-triazol-1-ium-4-carboxylate;ethyl prop-2-ynoate;oxido formate;azide;bromide?
The InChIKey is CANDVIPKUSRHBI-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H20N5O2.C13H16N2.C12H13N5.C12H14N2O.C11H11ClN2.C11H12N2O.C11H10N2O.C8H10N2.C5H6O2.C3H4Cl2O.CH2O3.CH3.BrH.Mg.N3.2Na/c1-3-24-17(23)15-10-22(20-19-15)11(2)14-9-21-8-13(12-4-5-12)6-7-16(21)18-14;1-9(2)12-8-15-7-11(10-3-4-10)5-6-13(15)14-12;1-8(15-16-13)11-7-17-6-10(9-2-3-9)4-5-12(17)14-11;1-8(15)11-7-14-6-10(9-2-3-9)4-5-12(14)13-11;12-5-10-7-14-6-9(8-1-2-8)3-4-11(14)13-10;2*14-7-10-6-13-5-9(8-1-2-8)3-4-11(13)12-10;9-8-4-3-7(5-10-8)6-1-2-6;1-3-5(6)7-4-2;4-1-3(6)2-5;2-1-4-3;;;;1-3-2;;/h6-12,15H,3-5H2,1-2H3;5-10H,3-4H2,1-2H3;4-9H,2-3H2,1H3;4-9,15H,2-3H2,1H3;3-4,6-8H,1-2,5H2;3-6,8,14H,1-2,7H2;3-8H,1-2H2;3-6H,1-2H2,(H2,9,10);1H,4H2,2H3;1-2H2;1,3H;1H3;1H;;;;/q+1;;;;;;;;;;;-1;;+2;-1;2*+1/p-2.
What are the key properties of magnesium;disodium;2-(1-azidoethyl)-6-cyclopropylimidazo[1,2-a]pyridine;carbanide;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;6-cyclopropylimidazo[1,2-a]pyridine-2-carbaldehyde;1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethanol;(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methanol;6-cyclopropyl-2-propan-2-ylimidazo[1,2-a]pyridine;5-cyclopropylpyridin-2-amine;1,3-dichloropropan-2-one;ethyl 1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]-4H-triazol-1-ium-4-carboxylate;ethyl prop-2-ynoate;oxido formate;azide;bromide?
magnesium;disodium;2-(1-azidoethyl)-6-cyclopropylimidazo[1,2-a]pyridine;carbanide;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;6-cyclopropylimidazo[1,2-a]pyridine-2-carbaldehyde;1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethanol;(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methanol;6-cyclopropyl-2-propan-2-ylimidazo[1,2-a]pyridine;5-cyclopropylpyridin-2-amine;1,3-dichloropropan-2-one;ethyl 1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]-4H-triazol-1-ium-4-carboxylate;ethyl prop-2-ynoate;oxido formate;azide;bromide has a molecular weight of 2164.83 g/mol, XLogP of 11.67, 23 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;disodium;2-(1-azidoethyl)-6-cyclopropylimidazo[1,2-a]pyridine;carbanide;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;6-cyclopropylimidazo[1,2-a]pyridine-2-carbaldehyde;1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethanol;(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methanol;6-cyclopropyl-2-propan-2-ylimidazo[1,2-a]pyridine;5-cyclopropylpyridin-2-amine;1,3-dichloropropan-2-one;ethyl 1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]-4H-triazol-1-ium-4-carboxylate;ethyl prop-2-ynoate;oxido formate;azide;bromide is sourced from PubChem (CID 157396947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).