magnesium;carbanide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(4-hydroxy-4-methylpiperidin-1-yl)phenyl]propan-1-one;1-[4-[3-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-oxopropyl]phenyl]piperidin-4-one;1,4-dioxa-8-azaspiro[4.5]decane;[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methanamine;1-fluoro-4-isocyanobenzene;8-(4-isocyanophenyl)-1,4-dioxa-8-azaspiro[4.5]decane;molecular fluorine;oxolane;chloride;hydrochloride;trihydrofluoride

C129H157Cl6F16MgN17O16 — CID 157267803

About magnesium;carbanide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(4-hydroxy-4-methylpiperidin-1-yl)phenyl]propan-1-one;1-[4-[3-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-oxopropyl]phenyl]piperidin-4-one;1,4-dioxa-8-azaspiro[4.5]decane;[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methanamine;1-fluoro-4-isocyanobenzene;8-(4-isocyanophenyl)-1,4-dioxa-8-azaspiro[4.5]decane;molecular fluorine;oxolane;chloride;hydrochloride;trihydrofluoride

magnesium;carbanide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(4-hydroxy-4-methylpiperidin-1-yl)phenyl]propan-1-one;1-[4-[3-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-oxopropyl]phenyl]piperidin-4-one;1,4-dioxa-8-azaspiro[4.5]decane;[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methanamine;1-fluoro-4-isocyanobenzene;8-(4-isocyanophenyl)-1,4-dioxa-8-azaspiro[4.5]decane;molecular fluorine;oxolane;chloride;hydrochloride;trihydrofluoride (PubChem CID 157267803) has the molecular formula C129H157Cl6F16MgN17O16 and a molecular weight of 2742.77 g/mol. Its IUPAC name is magnesium;carbanide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(4-hydroxy-4-methylpiperidin-1-yl)phenyl]propan-1-one;1-[4-[3-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-oxopropyl]phenyl]piperidin-4-one;1,4-dioxa-8-azaspiro[4.5]decane;[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methanamine;1-fluoro-4-isocyanobenzene;8-(4-isocyanophenyl)-1,4-dioxa-8-azaspiro[4.5]decane;molecular fluorine;oxolane;chloride;hydrochloride;trihydrofluoride.

Molecular Properties

• Compound Name: magnesium;carbanide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(4-hydroxy-4-methylpiperidin-1-yl)phenyl]propan-1-one;1-[4-[3-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-oxopropyl]phenyl]piperidin-4-one;1,4-dioxa-8-azaspiro[4.5]decane;[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methanamine;1-fluoro-4-isocyanobenzene;8-(4-isocyanophenyl)-1,4-dioxa-8-azaspiro[4.5]decane;molecular fluorine;oxolane;chloride;hydrochloride;trihydrofluoride
• PubChem CID: 157267803
• Molecular Formula: C129H157Cl6F16MgN17O16
• Molecular Weight: 2742.77 g/mol
• Exact Mass: 2737.97
• IUPAC Name: magnesium;carbanide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(4-hydroxy-4-methylpiperidin-1-yl)phenyl]propan-1-one;1-[4-[3-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-oxopropyl]phenyl]piperidin-4-one;1,4-dioxa-8-azaspiro[4.5]decane;[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methanamine;1-fluoro-4-isocyanobenzene;8-(4-isocyanophenyl)-1,4-dioxa-8-azaspiro[4.5]decane;molecular fluorine;oxolane;chloride;hydrochloride;trihydrofluoride
• SMILES: C1CC2(CCN1)OCCO2.C1CCOC1.CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N2CCC(=O)CC2)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N2CCC(C)(O)CC2)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N2CCC3(CC2)OCCO3)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)O.Cl.F.F.F.FF.FF.FF.FF.FF.FF.NCc1ccc(N2CCC3(CC2)OCCO3)cc1.[C-]#[N+]c1ccc(F)cc1.[C-]#[N+]c1ccc(N2CCC3(CC2)OCCO3)cc1.[CH3-].[Cl-].[Mg+2]
• InChI: InChI=1S/C25H28ClN3O3.C24H28ClN3O2.C23H24ClN3O2.C14H16N2O2.C14H20N2O2.C10H9ClN2O2.C7H4FN.C7H13NO2.C4H8O.CH3.2ClH.6F2.3FH.Mg/c1-2-21-24(29-17-19(26)6-10-23(29)27-21)22(30)9-5-18-3-7-20(8-4-18)28-13-11-25(12-14-28)31-15-16-32-25;1-3-20-23(28-16-18(25)7-11-22(28)26-20)21(29)10-6-17-4-8-19(9-5-17)27-14-12-24(2,30)13-15-27;1-2-20-23(27-15-17(24)6-10-22(27)25-20)21(29)9-5-16-3-7-18(8-4-16)26-13-11-19(28)12-14-26;1-15-12-2-4-13(5-3-12)16-8-6-14(7-9-16)17-10-11-18-14;15-11-12-1-3-13(4-2-12)16-7-5-14(6-8-16)17-9-10-18-14;1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7;1-9-7-4-2-6(8)3-5-7;1-3-8-4-2-7(1)9-5-6-10-7;1-2-4-5-3-1;;;;6*1-2;;;;/h3-4,6-8,10,17H,2,5,9,11-16H2,1H3;4-5,7-9,11,16,30H,3,6,10,12-15H2,1-2H3;3-4,6-8,10,15H,2,5,9,11-14H2,1H3;2-5H,6-11H2;1-4H,5-11,15H2;3-5H,2H2,1H3,(H,14,15);2-5H;8H,1-6H2;1-4H2;1H3;2*1H;;;;;;;3*1H;/q;;;;;;;;;-1;;;;;;;;;;;;+2/p-1
• InChIKey: ADPKTXNWCSKHLH-UHFFFAOYSA-M
• XLogP: 26.56
• TPSA: 341.05 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 23
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2742.77
LogP ≤ 5	26.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;carbanide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(4-hydroxy-4-methylpiperidin-1-yl)phenyl]propan-1-one;1-[4-[3-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-oxopropyl]phenyl]piperidin-4-one;1,4-dioxa-8-azaspiro[4.5]decane;[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methanamine;1-fluoro-4-isocyanobenzene;8-(4-isocyanophenyl)-1,4-dioxa-8-azaspiro[4.5]decane;molecular fluorine;oxolane;chloride;hydrochloride;trihydrofluoride?

The IUPAC name of magnesium;carbanide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(4-hydroxy-4-methylpiperidin-1-yl)phenyl]propan-1-one;1-[4-[3-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-oxopropyl]phenyl]piperidin-4-one;1,4-dioxa-8-azaspiro[4.5]decane;[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methanamine;1-fluoro-4-isocyanobenzene;8-(4-isocyanophenyl)-1,4-dioxa-8-azaspiro[4.5]decane;molecular fluorine;oxolane;chloride;hydrochloride;trihydrofluoride (CID 157267803) is magnesium;carbanide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(4-hydroxy-4-methylpiperidin-1-yl)phenyl]propan-1-one;1-[4-[3-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-oxopropyl]phenyl]piperidin-4-one;1,4-dioxa-8-azaspiro[4.5]decane;[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methanamine;1-fluoro-4-isocyanobenzene;8-(4-isocyanophenyl)-1,4-dioxa-8-azaspiro[4.5]decane;molecular fluorine;oxolane;chloride;hydrochloride;trihydrofluoride.

What is the SMILES notation for magnesium;carbanide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(4-hydroxy-4-methylpiperidin-1-yl)phenyl]propan-1-one;1-[4-[3-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-oxopropyl]phenyl]piperidin-4-one;1,4-dioxa-8-azaspiro[4.5]decane;[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methanamine;1-fluoro-4-isocyanobenzene;8-(4-isocyanophenyl)-1,4-dioxa-8-azaspiro[4.5]decane;molecular fluorine;oxolane;chloride;hydrochloride;trihydrofluoride?

The canonical SMILES for magnesium;carbanide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(4-hydroxy-4-methylpiperidin-1-yl)phenyl]propan-1-one;1-[4-[3-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-oxopropyl]phenyl]piperidin-4-one;1,4-dioxa-8-azaspiro[4.5]decane;[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methanamine;1-fluoro-4-isocyanobenzene;8-(4-isocyanophenyl)-1,4-dioxa-8-azaspiro[4.5]decane;molecular fluorine;oxolane;chloride;hydrochloride;trihydrofluoride is C1CC2(CCN1)OCCO2.C1CCOC1.CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N2CCC(=O)CC2)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N2CCC(C)(O)CC2)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N2CCC3(CC2)OCCO3)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)O.Cl.F.F.F.FF.FF.FF.FF.FF.FF.NCc1ccc(N2CCC3(CC2)OCCO3)cc1.[C-]#[N+]c1ccc(F)cc1.[C-]#[N+]c1ccc(N2CCC3(CC2)OCCO3)cc1.[CH3-].[Cl-].[Mg+2].

What is the InChIKey of magnesium;carbanide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(4-hydroxy-4-methylpiperidin-1-yl)phenyl]propan-1-one;1-[4-[3-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-oxopropyl]phenyl]piperidin-4-one;1,4-dioxa-8-azaspiro[4.5]decane;[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methanamine;1-fluoro-4-isocyanobenzene;8-(4-isocyanophenyl)-1,4-dioxa-8-azaspiro[4.5]decane;molecular fluorine;oxolane;chloride;hydrochloride;trihydrofluoride?

The InChIKey is ADPKTXNWCSKHLH-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H28ClN3O3.C24H28ClN3O2.C23H24ClN3O2.C14H16N2O2.C14H20N2O2.C10H9ClN2O2.C7H4FN.C7H13NO2.C4H8O.CH3.2ClH.6F2.3FH.Mg/c1-2-21-24(29-17-19(26)6-10-23(29)27-21)22(30)9-5-18-3-7-20(8-4-18)28-13-11-25(12-14-28)31-15-16-32-25;1-3-20-23(28-16-18(25)7-11-22(28)26-20)21(29)10-6-17-4-8-19(9-5-17)27-14-12-24(2,30)13-15-27;1-2-20-23(27-15-17(24)6-10-22(27)25-20)21(29)9-5-16-3-7-18(8-4-16)26-13-11-19(28)12-14-26;1-15-12-2-4-13(5-3-12)16-8-6-14(7-9-16)17-10-11-18-14;15-11-12-1-3-13(4-2-12)16-7-5-14(6-8-16)17-9-10-18-14;1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7;1-9-7-4-2-6(8)3-5-7;1-3-8-4-2-7(1)9-5-6-10-7;1-2-4-5-3-1;;;;6*1-2;;;;/h3-4,6-8,10,17H,2,5,9,11-16H2,1H3;4-5,7-9,11,16,30H,3,6,10,12-15H2,1-2H3;3-4,6-8,10,15H,2,5,9,11-14H2,1H3;2-5H,6-11H2;1-4H,5-11,15H2;3-5H,2H2,1H3,(H,14,15);2-5H;8H,1-6H2;1-4H2;1H3;2*1H;;;;;;;3*1H;/q;;;;;;;;;-1;;;;;;;;;;;;+2/p-1.

What are the key properties of magnesium;carbanide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(4-hydroxy-4-methylpiperidin-1-yl)phenyl]propan-1-one;1-[4-[3-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-oxopropyl]phenyl]piperidin-4-one;1,4-dioxa-8-azaspiro[4.5]decane;[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methanamine;1-fluoro-4-isocyanobenzene;8-(4-isocyanophenyl)-1,4-dioxa-8-azaspiro[4.5]decane;molecular fluorine;oxolane;chloride;hydrochloride;trihydrofluoride?

magnesium;carbanide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(4-hydroxy-4-methylpiperidin-1-yl)phenyl]propan-1-one;1-[4-[3-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-oxopropyl]phenyl]piperidin-4-one;1,4-dioxa-8-azaspiro[4.5]decane;[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methanamine;1-fluoro-4-isocyanobenzene;8-(4-isocyanophenyl)-1,4-dioxa-8-azaspiro[4.5]decane;molecular fluorine;oxolane;chloride;hydrochloride;trihydrofluoride has a molecular weight of 2742.77 g/mol, XLogP of 26.56, 23 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;carbanide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(4-hydroxy-4-methylpiperidin-1-yl)phenyl]propan-1-one;1-[4-[3-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-oxopropyl]phenyl]piperidin-4-one;1,4-dioxa-8-azaspiro[4.5]decane;[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methanamine;1-fluoro-4-isocyanobenzene;8-(4-isocyanophenyl)-1,4-dioxa-8-azaspiro[4.5]decane;molecular fluorine;oxolane;chloride;hydrochloride;trihydrofluoride is sourced from PubChem (CID 157267803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).