potassium;azane;2-chloro-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;2,4-dichloro-8-(1-methylimidazol-4-yl)pyrido[3,4-d]pyrimidine;hydride;methane;methanol;2-methoxy-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;methyl 3-amino-2-chloropyridine-4-carboxylate;methyl 3-amino-2-(1-methylimidazol-4-yl)pyridine-4-carboxylate;methyl 3-aminopyridine-4-carboxylate;8-(1-methylimidazol-4-yl)-1H-1,7-naphthyridine-2,4-dione;molecular hydrogen;phosphane;tributyl-(1-methylimidazol-4-yl)stannane

C92H124Cl4KN30O12PSn — CID 159161731

IUPACpotassium;azane;2-chloro-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;2,4-dichloro-8-(1-methylimidazol-4-yl)pyrido[3,4-d]pyrimidine;hydride;methane;methanol;2-methoxy-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;methyl 3-amino-2-chloropyridine-4-carboxylate;methyl 3-amino-2-(1-methylimidazol-4-yl)pyridine-4-carboxylate;methyl 3-aminopyridine-4-carboxylate;8-(1-methylimidazol-4-yl)-1H-1,7-naphthyridine-2,4-dione;molecular hydrogen;phosphane;tributyl-(1-methylimidazol-4-yl)stannane
SMILESC.C.C.C.CCCC[Sn](CCCC)(CCCC)c1cn(C)cn1.CO.COC(=O)c1ccnc(-c2cn(C)cn2)c1N.COC(=O)c1ccnc(Cl)c1N.COC(=O)c1ccncc1N.COc1nc2c(-c3cn(C)cn3)nccc2c(=O)[nH]1.Cn1cnc(-c2nccc3c(=O)[nH]c(Cl)nc23)c1.Cn1cnc(-c2nccc3c(Cl)nc(Cl)nc23)c1.Cn1cnc(-c2nccc3c2NC(=O)CC3=O)c1.N.P.[H-].[H][H].[K+]
InChIInChI=1S/C12H11N5O2.C12H10N4O2.C11H7Cl2N5.C11H8ClN5O.C11H12N4O2.C7H7ClN2O2.C7H8N2O2.C4H5N2.3C4H9.CH4O.4CH4.K.H3N.H3P.Sn.H2.H/c1-17-5-8(14-6-17)10-9-7(3-4-13-10)11(18)16-12(15-9)19-2;1-16-5-8(14-6-16)12-11-7(2-3-13-12)9(17)4-10(18)15-11;1-18-4-7(15-5-18)9-8-6(2-3-14-9)10(12)17-11(13)16-8;1-17-4-7(14-5-17)9-8-6(2-3-13-9)10(18)16-11(12)15-8;1-15-5-8(14-6-15)10-9(12)7(3-4-13-10)11(16)17-2;1-12-7(11)4-2-3-10-6(8)5(4)9;1-11-7(10)5-2-3-9-4-6(5)8;1-6-3-2-5-4-6;3*1-3-4-2;1-2;;;;;;;;;;/h3-6H,1-2H3,(H,15,16,18);2-3,5-6H,4H2,1H3,(H,15,18);2-5H,1H3;2-5H,1H3,(H,15,16,18);3-6H,12H2,1-2H3;2-3H,9H2,1H3;2-4H,8H2,1H3;3-4H,1H3;3*1,3-4H2,2H3;2H,1H3;4*1H4;;2*1H3;;1H;/q;;;;;;;;;;;;;;;;+1;;;;;-1
InChIKeySOBLBWOXKQMGTJ-UHFFFAOYSA-N
MW2172.80 g/mol
LogP12.46
Rot. Bonds19

About potassium;azane;2-chloro-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;2,4-dichloro-8-(1-methylimidazol-4-yl)pyrido[3,4-d]pyrimidine;hydride;methane;methanol;2-methoxy-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;methyl 3-amino-2-chloropyridine-4-carboxylate;methyl 3-amino-2-(1-methylimidazol-4-yl)pyridine-4-carboxylate;methyl 3-aminopyridine-4-carboxylate;8-(1-methylimidazol-4-yl)-1H-1,7-naphthyridine-2,4-dione;molecular hydrogen;phosphane;tributyl-(1-methylimidazol-4-yl)stannane

potassium;azane;2-chloro-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;2,4-dichloro-8-(1-methylimidazol-4-yl)pyrido[3,4-d]pyrimidine;hydride;methane;methanol;2-methoxy-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;methyl 3-amino-2-chloropyridine-4-carboxylate;methyl 3-amino-2-(1-methylimidazol-4-yl)pyridine-4-carboxylate;methyl 3-aminopyridine-4-carboxylate;8-(1-methylimidazol-4-yl)-1H-1,7-naphthyridine-2,4-dione;molecular hydrogen;phosphane;tributyl-(1-methylimidazol-4-yl)stannane (PubChem CID 159161731) has the molecular formula C92H124Cl4KN30O12PSn and a molecular weight of 2172.80 g/mol. Its IUPAC name is potassium;azane;2-chloro-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;2,4-dichloro-8-(1-methylimidazol-4-yl)pyrido[3,4-d]pyrimidine;hydride;methane;methanol;2-methoxy-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;methyl 3-amino-2-chloropyridine-4-carboxylate;methyl 3-amino-2-(1-methylimidazol-4-yl)pyridine-4-carboxylate;methyl 3-aminopyridine-4-carboxylate;8-(1-methylimidazol-4-yl)-1H-1,7-naphthyridine-2,4-dione;molecular hydrogen;phosphane;tributyl-(1-methylimidazol-4-yl)stannane.

Molecular Properties

Compound Namepotassium;azane;2-chloro-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;2,4-dichloro-8-(1-methylimidazol-4-yl)pyrido[3,4-d]pyrimidine;hydride;methane;methanol;2-methoxy-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;methyl 3-amino-2-chloropyridine-4-carboxylate;methyl 3-amino-2-(1-methylimidazol-4-yl)pyridine-4-carboxylate;methyl 3-aminopyridine-4-carboxylate;8-(1-methylimidazol-4-yl)-1H-1,7-naphthyridine-2,4-dione;molecular hydrogen;phosphane;tributyl-(1-methylimidazol-4-yl)stannane
PubChem CID159161731
Molecular FormulaC92H124Cl4KN30O12PSn
Molecular Weight2172.80 g/mol
Exact Mass2170.72
IUPAC Namepotassium;azane;2-chloro-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;2,4-dichloro-8-(1-methylimidazol-4-yl)pyrido[3,4-d]pyrimidine;hydride;methane;methanol;2-methoxy-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;methyl 3-amino-2-chloropyridine-4-carboxylate;methyl 3-amino-2-(1-methylimidazol-4-yl)pyridine-4-carboxylate;methyl 3-aminopyridine-4-carboxylate;8-(1-methylimidazol-4-yl)-1H-1,7-naphthyridine-2,4-dione;molecular hydrogen;phosphane;tributyl-(1-methylimidazol-4-yl)stannane
SMILESC.C.C.C.CCCC[Sn](CCCC)(CCCC)c1cn(C)cn1.CO.COC(=O)c1ccnc(-c2cn(C)cn2)c1N.COC(=O)c1ccnc(Cl)c1N.COC(=O)c1ccncc1N.COc1nc2c(-c3cn(C)cn3)nccc2c(=O)[nH]1.Cn1cnc(-c2nccc3c(=O)[nH]c(Cl)nc23)c1.Cn1cnc(-c2nccc3c(Cl)nc(Cl)nc23)c1.Cn1cnc(-c2nccc3c2NC(=O)CC3=O)c1.N.P.[H-].[H][H].[K+]
InChIInChI=1S/C12H11N5O2.C12H10N4O2.C11H7Cl2N5.C11H8ClN5O.C11H12N4O2.C7H7ClN2O2.C7H8N2O2.C4H5N2.3C4H9.CH4O.4CH4.K.H3N.H3P.Sn.H2.H/c1-17-5-8(14-6-17)10-9-7(3-4-13-10)11(18)16-12(15-9)19-2;1-16-5-8(14-6-16)12-11-7(2-3-13-12)9(17)4-10(18)15-11;1-18-4-7(15-5-18)9-8-6(2-3-14-9)10(12)17-11(13)16-8;1-17-4-7(14-5-17)9-8-6(2-3-13-9)10(18)16-11(12)15-8;1-15-5-8(14-6-15)10-9(12)7(3-4-13-10)11(16)17-2;1-12-7(11)4-2-3-10-6(8)5(4)9;1-11-7(10)5-2-3-9-4-6(5)8;1-6-3-2-5-4-6;3*1-3-4-2;1-2;;;;;;;;;;/h3-6H,1-2H3,(H,15,16,18);2-3,5-6H,4H2,1H3,(H,15,18);2-5H,1H3;2-5H,1H3,(H,15,16,18);3-6H,12H2,1-2H3;2-3H,9H2,1H3;2-4H,8H2,1H3;3-4H,1H3;3*1,3-4H2,2H3;2H,1H3;4*1H4;;2*1H3;;1H;/q;;;;;;;;;;;;;;;;+1;;;;;-1
InChIKeySOBLBWOXKQMGTJ-UHFFFAOYSA-N
XLogP12.46
TPSA582.02 Ų
H-Bond Donors8
H-Bond Acceptors39
Rotatable Bonds19
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002172.80
LogP ≤ 512.46
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze potassium;azane;2-chloro-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;2,4-dichloro-8-(1-methylimidazol-4-yl)pyrido[3,4-d]pyrimidine;hydride;methane;methanol;2-methoxy-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;methyl 3-amino-2-chloropyridine-4-carboxylate;methyl 3-amino-2-(1-methylimidazol-4-yl)pyridine-4-carboxylate;methyl 3-aminopyridine-4-carboxylate;8-(1-methylimidazol-4-yl)-1H-1,7-naphthyridine-2,4-dione;molecular hydrogen;phosphane;tributyl-(1-methylimidazol-4-yl)stannane with MolForge

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Related Compounds

11-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;deuterio(iodo)methane;dichloro(methyl)stannane;3-(hydroxymethyl)-5H-imidazo[1,2-a][1,8]naphthyridin-6-one;3-(hydroxymethyl)-5H-imidazo[1,5-a][1,8]naphthyridin-6-one;methyl 5-amino-6-imidazol-1-ylpyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-oxo-5H-imidazo[1,2-a][1,8]naphthyridine-3-carboxylate;methyl 6-oxo-5H-imidazo[1,5-a][1,8]naphthyridine-3-carboxylate
CID 157134816
11-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;11-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;dichloro(methyl)stannane;3-(hydroxymethyl)-5H-imidazo[1,2-a][1,8]naphthyridin-6-one;3-(hydroxymethyl)-5H-imidazo[1,5-a][1,8]naphthyridin-6-one;methyl 5-amino-6-imidazol-1-ylpyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-oxo-5H-imidazo[1,2-a][1,8]naphthyridine-3-carboxylate;methyl 6-oxo-5H-imidazo[1,5-a][1,8]naphthyridine-3-carboxylate
CID 159126542
carbon dioxide;3-chloro-4-fluoroaniline;[4-(3-chloro-4-fluoroanilino)-6-(4-methylimidazol-1-yl)quinolin-3-yl]methanol;1-(3-chloro-4-fluorophenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;ethyl 4-(3-chloro-4-fluoroanilino)-6-(4-methylimidazol-1-yl)quinoline-3-carboxylate;ethyl 4-chloro-6-(4-methylimidazol-1-yl)quinoline-3-carboxylate;ethyl (E)-2-ethylbut-2-enoate;4-(4-methylimidazol-1-yl)aniline
CID 160977941

Frequently Asked Questions

What is the IUPAC name of potassium;azane;2-chloro-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;2,4-dichloro-8-(1-methylimidazol-4-yl)pyrido[3,4-d]pyrimidine;hydride;methane;methanol;2-methoxy-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;methyl 3-amino-2-chloropyridine-4-carboxylate;methyl 3-amino-2-(1-methylimidazol-4-yl)pyridine-4-carboxylate;methyl 3-aminopyridine-4-carboxylate;8-(1-methylimidazol-4-yl)-1H-1,7-naphthyridine-2,4-dione;molecular hydrogen;phosphane;tributyl-(1-methylimidazol-4-yl)stannane?
The IUPAC name of potassium;azane;2-chloro-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;2,4-dichloro-8-(1-methylimidazol-4-yl)pyrido[3,4-d]pyrimidine;hydride;methane;methanol;2-methoxy-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;methyl 3-amino-2-chloropyridine-4-carboxylate;methyl 3-amino-2-(1-methylimidazol-4-yl)pyridine-4-carboxylate;methyl 3-aminopyridine-4-carboxylate;8-(1-methylimidazol-4-yl)-1H-1,7-naphthyridine-2,4-dione;molecular hydrogen;phosphane;tributyl-(1-methylimidazol-4-yl)stannane (CID 159161731) is potassium;azane;2-chloro-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;2,4-dichloro-8-(1-methylimidazol-4-yl)pyrido[3,4-d]pyrimidine;hydride;methane;methanol;2-methoxy-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;methyl 3-amino-2-chloropyridine-4-carboxylate;methyl 3-amino-2-(1-methylimidazol-4-yl)pyridine-4-carboxylate;methyl 3-aminopyridine-4-carboxylate;8-(1-methylimidazol-4-yl)-1H-1,7-naphthyridine-2,4-dione;molecular hydrogen;phosphane;tributyl-(1-methylimidazol-4-yl)stannane.
What is the SMILES notation for potassium;azane;2-chloro-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;2,4-dichloro-8-(1-methylimidazol-4-yl)pyrido[3,4-d]pyrimidine;hydride;methane;methanol;2-methoxy-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;methyl 3-amino-2-chloropyridine-4-carboxylate;methyl 3-amino-2-(1-methylimidazol-4-yl)pyridine-4-carboxylate;methyl 3-aminopyridine-4-carboxylate;8-(1-methylimidazol-4-yl)-1H-1,7-naphthyridine-2,4-dione;molecular hydrogen;phosphane;tributyl-(1-methylimidazol-4-yl)stannane?
The canonical SMILES for potassium;azane;2-chloro-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;2,4-dichloro-8-(1-methylimidazol-4-yl)pyrido[3,4-d]pyrimidine;hydride;methane;methanol;2-methoxy-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;methyl 3-amino-2-chloropyridine-4-carboxylate;methyl 3-amino-2-(1-methylimidazol-4-yl)pyridine-4-carboxylate;methyl 3-aminopyridine-4-carboxylate;8-(1-methylimidazol-4-yl)-1H-1,7-naphthyridine-2,4-dione;molecular hydrogen;phosphane;tributyl-(1-methylimidazol-4-yl)stannane is C.C.C.C.CCCC[Sn](CCCC)(CCCC)c1cn(C)cn1.CO.COC(=O)c1ccnc(-c2cn(C)cn2)c1N.COC(=O)c1ccnc(Cl)c1N.COC(=O)c1ccncc1N.COc1nc2c(-c3cn(C)cn3)nccc2c(=O)[nH]1.Cn1cnc(-c2nccc3c(=O)[nH]c(Cl)nc23)c1.Cn1cnc(-c2nccc3c(Cl)nc(Cl)nc23)c1.Cn1cnc(-c2nccc3c2NC(=O)CC3=O)c1.N.P.[H-].[H][H].[K+].
What is the InChIKey of potassium;azane;2-chloro-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;2,4-dichloro-8-(1-methylimidazol-4-yl)pyrido[3,4-d]pyrimidine;hydride;methane;methanol;2-methoxy-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;methyl 3-amino-2-chloropyridine-4-carboxylate;methyl 3-amino-2-(1-methylimidazol-4-yl)pyridine-4-carboxylate;methyl 3-aminopyridine-4-carboxylate;8-(1-methylimidazol-4-yl)-1H-1,7-naphthyridine-2,4-dione;molecular hydrogen;phosphane;tributyl-(1-methylimidazol-4-yl)stannane?
The InChIKey is SOBLBWOXKQMGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2.C12H10N4O2.C11H7Cl2N5.C11H8ClN5O.C11H12N4O2.C7H7ClN2O2.C7H8N2O2.C4H5N2.3C4H9.CH4O.4CH4.K.H3N.H3P.Sn.H2.H/c1-17-5-8(14-6-17)10-9-7(3-4-13-10)11(18)16-12(15-9)19-2;1-16-5-8(14-6-16)12-11-7(2-3-13-12)9(17)4-10(18)15-11;1-18-4-7(15-5-18)9-8-6(2-3-14-9)10(12)17-11(13)16-8;1-17-4-7(14-5-17)9-8-6(2-3-13-9)10(18)16-11(12)15-8;1-15-5-8(14-6-15)10-9(12)7(3-4-13-10)11(16)17-2;1-12-7(11)4-2-3-10-6(8)5(4)9;1-11-7(10)5-2-3-9-4-6(5)8;1-6-3-2-5-4-6;3*1-3-4-2;1-2;;;;;;;;;;/h3-6H,1-2H3,(H,15,16,18);2-3,5-6H,4H2,1H3,(H,15,18);2-5H,1H3;2-5H,1H3,(H,15,16,18);3-6H,12H2,1-2H3;2-3H,9H2,1H3;2-4H,8H2,1H3;3-4H,1H3;3*1,3-4H2,2H3;2H,1H3;4*1H4;;2*1H3;;1H;/q;;;;;;;;;;;;;;;;+1;;;;;-1.
What are the key properties of potassium;azane;2-chloro-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;2,4-dichloro-8-(1-methylimidazol-4-yl)pyrido[3,4-d]pyrimidine;hydride;methane;methanol;2-methoxy-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;methyl 3-amino-2-chloropyridine-4-carboxylate;methyl 3-amino-2-(1-methylimidazol-4-yl)pyridine-4-carboxylate;methyl 3-aminopyridine-4-carboxylate;8-(1-methylimidazol-4-yl)-1H-1,7-naphthyridine-2,4-dione;molecular hydrogen;phosphane;tributyl-(1-methylimidazol-4-yl)stannane?
potassium;azane;2-chloro-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;2,4-dichloro-8-(1-methylimidazol-4-yl)pyrido[3,4-d]pyrimidine;hydride;methane;methanol;2-methoxy-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;methyl 3-amino-2-chloropyridine-4-carboxylate;methyl 3-amino-2-(1-methylimidazol-4-yl)pyridine-4-carboxylate;methyl 3-aminopyridine-4-carboxylate;8-(1-methylimidazol-4-yl)-1H-1,7-naphthyridine-2,4-dione;molecular hydrogen;phosphane;tributyl-(1-methylimidazol-4-yl)stannane has a molecular weight of 2172.80 g/mol, XLogP of 12.46, 19 rotatable bonds, 8 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;azane;2-chloro-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;2,4-dichloro-8-(1-methylimidazol-4-yl)pyrido[3,4-d]pyrimidine;hydride;methane;methanol;2-methoxy-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;methyl 3-amino-2-chloropyridine-4-carboxylate;methyl 3-amino-2-(1-methylimidazol-4-yl)pyridine-4-carboxylate;methyl 3-aminopyridine-4-carboxylate;8-(1-methylimidazol-4-yl)-1H-1,7-naphthyridine-2,4-dione;molecular hydrogen;phosphane;tributyl-(1-methylimidazol-4-yl)stannane is sourced from PubChem (CID 159161731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).