5-amino-2-methylpyridine-4-carboxylic acid;tert-butyl N-[2-(azetidin-3-yl)ethyl]carbamate;tert-butyl N-[2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethyl]carbamate;tert-butyl N-[2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethylsulfamoyl]carbamate;4-chloro-6-methylpyrido[3,4-d]pyrimidine;N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonyl-1-[(2-methylpropan-2-yl)oxy]methanimidate;2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid;6-methyl-3H-pyrido[3,4-d]pyrimidin-4-one;2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethanamine;6-methyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]pyrido[3,4-d]pyrimidine;phosphoryl trichloride;2,2,2-trifluoroacetic acid;hydrochloride

C121H164Cl5F3N37O24PS3 — CID 165068995

IUPAC5-amino-2-methylpyridine-4-carboxylic acid;tert-butyl N-[2-(azetidin-3-yl)ethyl]carbamate;tert-butyl N-[2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethyl]carbamate;tert-butyl N-[2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethylsulfamoyl]carbamate;4-chloro-6-methylpyrido[3,4-d]pyrimidine;N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonyl-1-[(2-methylpropan-2-yl)oxy]methanimidate;2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid;6-methyl-3H-pyrido[3,4-d]pyrimidin-4-one;2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethanamine;6-methyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]pyrido[3,4-d]pyrimidine;phosphoryl trichloride;2,2,2-trifluoroacetic acid;hydrochloride
SMILESCC(C)(C)OC(=O)NCCC1CNC1.CN(C)c1cc[n+](S(=O)(=O)N=C([O-])OC(C)(C)C)cc1.Cc1cc(C(=O)O)c(N)cn1.Cc1cc(C(=O)O)c(NC(=O)OC(C)(C)C)cn1.Cc1cc2c(=O)[nH]cnc2cn1.Cc1cc2c(Cl)ncnc2cn1.Cc1cc2c(N3CC(CCN)C3)ncnc2cn1.Cc1cc2c(N3CC(CCNC(=O)OC(C)(C)C)C3)ncnc2cn1.Cc1cc2c(N3CC(CCNS(=O)(=O)NC(=O)OC(C)(C)C)C3)ncnc2cn1.Cc1cc2c(N3CC(CCNS(N)(=O)=O)C3)ncnc2cn1.Cl.O=C(O)C(F)(F)F.O=P(Cl)(Cl)Cl
InChIInChI=1S/C18H26N6O4S.C18H25N5O2.C13H18N6O2S.C13H17N5.C12H19N3O4S.C12H16N2O4.C10H20N2O2.C8H6ClN3.C8H7N3O.C7H8N2O2.C2HF3O2.Cl3OP.ClH/c1-12-7-14-15(8-19-12)20-11-21-16(14)24-9-13(10-24)5-6-22-29(26,27)23-17(25)28-18(2,3)4;1-12-7-14-15(8-20-12)21-11-22-16(14)23-9-13(10-23)5-6-19-17(24)25-18(2,3)4;1-9-4-11-12(5-15-9)16-8-17-13(11)19-6-10(7-19)2-3-18-22(14,20)21;1-9-4-11-12(5-15-9)16-8-17-13(11)18-6-10(7-18)2-3-14;1-12(2,3)19-11(16)13-20(17,18)15-8-6-10(7-9-15)14(4)5;1-7-5-8(10(15)16)9(6-13-7)14-11(17)18-12(2,3)4;1-10(2,3)14-9(13)12-5-4-8-6-11-7-8;1-5-2-6-7(3-10-5)11-4-12-8(6)9;1-5-2-6-7(3-9-5)10-4-11-8(6)12;1-4-2-5(7(10)11)6(8)3-9-4;3-2(4,5)1(6)7;1-5(2,3)4;/h7-8,11,13,22H,5-6,9-10H2,1-4H3,(H,23,25);7-8,11,13H,5-6,9-10H2,1-4H3,(H,19,24);4-5,8,10,18H,2-3,6-7H2,1H3,(H2,14,20,21);4-5,8,10H,2-3,6-7,14H2,1H3;6-9H,1-5H3;5-6H,1-4H3,(H,14,17)(H,15,16);8,11H,4-7H2,1-3H3,(H,12,13);2-4H,1H3;2-4H,1H3,(H,10,11,12);2-3H,8H2,1H3,(H,10,11);(H,6,7);;1H
InChIKeyMAKATGHBFOABJM-UHFFFAOYSA-N
MW2882.31 g/mol
LogP15.64
Rot. Bonds27

About 5-amino-2-methylpyridine-4-carboxylic acid;tert-butyl N-[2-(azetidin-3-yl)ethyl]carbamate;tert-butyl N-[2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethyl]carbamate;tert-butyl N-[2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethylsulfamoyl]carbamate;4-chloro-6-methylpyrido[3,4-d]pyrimidine;N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonyl-1-[(2-methylpropan-2-yl)oxy]methanimidate;2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid;6-methyl-3H-pyrido[3,4-d]pyrimidin-4-one;2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethanamine;6-methyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]pyrido[3,4-d]pyrimidine;phosphoryl trichloride;2,2,2-trifluoroacetic acid;hydrochloride

5-amino-2-methylpyridine-4-carboxylic acid;tert-butyl N-[2-(azetidin-3-yl)ethyl]carbamate;tert-butyl N-[2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethyl]carbamate;tert-butyl N-[2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethylsulfamoyl]carbamate;4-chloro-6-methylpyrido[3,4-d]pyrimidine;N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonyl-1-[(2-methylpropan-2-yl)oxy]methanimidate;2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid;6-methyl-3H-pyrido[3,4-d]pyrimidin-4-one;2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethanamine;6-methyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]pyrido[3,4-d]pyrimidine;phosphoryl trichloride;2,2,2-trifluoroacetic acid;hydrochloride (PubChem CID 165068995) has the molecular formula C121H164Cl5F3N37O24PS3 and a molecular weight of 2882.31 g/mol. Its IUPAC name is 5-amino-2-methylpyridine-4-carboxylic acid;tert-butyl N-[2-(azetidin-3-yl)ethyl]carbamate;tert-butyl N-[2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethyl]carbamate;tert-butyl N-[2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethylsulfamoyl]carbamate;4-chloro-6-methylpyrido[3,4-d]pyrimidine;N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonyl-1-[(2-methylpropan-2-yl)oxy]methanimidate;2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid;6-methyl-3H-pyrido[3,4-d]pyrimidin-4-one;2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethanamine;6-methyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]pyrido[3,4-d]pyrimidine;phosphoryl trichloride;2,2,2-trifluoroacetic acid;hydrochloride.

Molecular Properties

Compound Name5-amino-2-methylpyridine-4-carboxylic acid;tert-butyl N-[2-(azetidin-3-yl)ethyl]carbamate;tert-butyl N-[2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethyl]carbamate;tert-butyl N-[2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethylsulfamoyl]carbamate;4-chloro-6-methylpyrido[3,4-d]pyrimidine;N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonyl-1-[(2-methylpropan-2-yl)oxy]methanimidate;2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid;6-methyl-3H-pyrido[3,4-d]pyrimidin-4-one;2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethanamine;6-methyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]pyrido[3,4-d]pyrimidine;phosphoryl trichloride;2,2,2-trifluoroacetic acid;hydrochloride
PubChem CID165068995
Molecular FormulaC121H164Cl5F3N37O24PS3
Molecular Weight2882.31 g/mol
Exact Mass2878.00
IUPAC Name5-amino-2-methylpyridine-4-carboxylic acid;tert-butyl N-[2-(azetidin-3-yl)ethyl]carbamate;tert-butyl N-[2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethyl]carbamate;tert-butyl N-[2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethylsulfamoyl]carbamate;4-chloro-6-methylpyrido[3,4-d]pyrimidine;N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonyl-1-[(2-methylpropan-2-yl)oxy]methanimidate;2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid;6-methyl-3H-pyrido[3,4-d]pyrimidin-4-one;2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethanamine;6-methyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]pyrido[3,4-d]pyrimidine;phosphoryl trichloride;2,2,2-trifluoroacetic acid;hydrochloride
SMILESCC(C)(C)OC(=O)NCCC1CNC1.CN(C)c1cc[n+](S(=O)(=O)N=C([O-])OC(C)(C)C)cc1.Cc1cc(C(=O)O)c(N)cn1.Cc1cc(C(=O)O)c(NC(=O)OC(C)(C)C)cn1.Cc1cc2c(=O)[nH]cnc2cn1.Cc1cc2c(Cl)ncnc2cn1.Cc1cc2c(N3CC(CCN)C3)ncnc2cn1.Cc1cc2c(N3CC(CCNC(=O)OC(C)(C)C)C3)ncnc2cn1.Cc1cc2c(N3CC(CCNS(=O)(=O)NC(=O)OC(C)(C)C)C3)ncnc2cn1.Cc1cc2c(N3CC(CCNS(N)(=O)=O)C3)ncnc2cn1.Cl.O=C(O)C(F)(F)F.O=P(Cl)(Cl)Cl
InChIInChI=1S/C18H26N6O4S.C18H25N5O2.C13H18N6O2S.C13H17N5.C12H19N3O4S.C12H16N2O4.C10H20N2O2.C8H6ClN3.C8H7N3O.C7H8N2O2.C2HF3O2.Cl3OP.ClH/c1-12-7-14-15(8-19-12)20-11-21-16(14)24-9-13(10-24)5-6-22-29(26,27)23-17(25)28-18(2,3)4;1-12-7-14-15(8-20-12)21-11-22-16(14)23-9-13(10-23)5-6-19-17(24)25-18(2,3)4;1-9-4-11-12(5-15-9)16-8-17-13(11)19-6-10(7-19)2-3-18-22(14,20)21;1-9-4-11-12(5-15-9)16-8-17-13(11)18-6-10(7-18)2-3-14;1-12(2,3)19-11(16)13-20(17,18)15-8-6-10(7-9-15)14(4)5;1-7-5-8(10(15)16)9(6-13-7)14-11(17)18-12(2,3)4;1-10(2,3)14-9(13)12-5-4-8-6-11-7-8;1-5-2-6-7(3-10-5)11-4-12-8(6)9;1-5-2-6-7(3-9-5)10-4-11-8(6)12;1-4-2-5(7(10)11)6(8)3-9-4;3-2(4,5)1(6)7;1-5(2,3)4;/h7-8,11,13,22H,5-6,9-10H2,1-4H3,(H,23,25);7-8,11,13H,5-6,9-10H2,1-4H3,(H,19,24);4-5,8,10,18H,2-3,6-7H2,1H3,(H2,14,20,21);4-5,8,10H,2-3,6-7,14H2,1H3;6-9H,1-5H3;5-6H,1-4H3,(H,14,17)(H,15,16);8,11H,4-7H2,1-3H3,(H,12,13);2-4H,1H3;2-4H,1H3,(H,10,11,12);2-3H,8H2,1H3,(H,10,11);(H,6,7);;1H
InChIKeyMAKATGHBFOABJM-UHFFFAOYSA-N
XLogP15.64
TPSA841.36 Ų
H-Bond Donors14
H-Bond Acceptors48
Rotatable Bonds27
Heavy Atoms194
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002882.31
LogP ≤ 515.64
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_het_A(9)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 5-amino-2-methylpyridine-4-carboxylic acid;tert-butyl N-[2-(azetidin-3-yl)ethyl]carbamate;tert-butyl N-[2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethyl]carbamate;tert-butyl N-[2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethylsulfamoyl]carbamate;4-chloro-6-methylpyrido[3,4-d]pyrimidine;N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonyl-1-[(2-methylpropan-2-yl)oxy]methanimidate;2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid;6-methyl-3H-pyrido[3,4-d]pyrimidin-4-one;2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethanamine;6-methyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]pyrido[3,4-d]pyrimidine;phosphoryl trichloride;2,2,2-trifluoroacetic acid;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methylpyridine-4-carboxylic acid;tert-butyl N-[2-(azetidin-3-yl)ethyl]carbamate;tert-butyl N-[2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethyl]carbamate;tert-butyl N-[2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethylsulfamoyl]carbamate;4-chloro-6-methylpyrido[3,4-d]pyrimidine;N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonyl-1-[(2-methylpropan-2-yl)oxy]methanimidate;2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid;6-methyl-3H-pyrido[3,4-d]pyrimidin-4-one;2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethanamine;6-methyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]pyrido[3,4-d]pyrimidine;phosphoryl trichloride;2,2,2-trifluoroacetic acid;hydrochloride?
The IUPAC name of 5-amino-2-methylpyridine-4-carboxylic acid;tert-butyl N-[2-(azetidin-3-yl)ethyl]carbamate;tert-butyl N-[2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethyl]carbamate;tert-butyl N-[2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethylsulfamoyl]carbamate;4-chloro-6-methylpyrido[3,4-d]pyrimidine;N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonyl-1-[(2-methylpropan-2-yl)oxy]methanimidate;2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid;6-methyl-3H-pyrido[3,4-d]pyrimidin-4-one;2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethanamine;6-methyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]pyrido[3,4-d]pyrimidine;phosphoryl trichloride;2,2,2-trifluoroacetic acid;hydrochloride (CID 165068995) is 5-amino-2-methylpyridine-4-carboxylic acid;tert-butyl N-[2-(azetidin-3-yl)ethyl]carbamate;tert-butyl N-[2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethyl]carbamate;tert-butyl N-[2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethylsulfamoyl]carbamate;4-chloro-6-methylpyrido[3,4-d]pyrimidine;N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonyl-1-[(2-methylpropan-2-yl)oxy]methanimidate;2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid;6-methyl-3H-pyrido[3,4-d]pyrimidin-4-one;2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethanamine;6-methyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]pyrido[3,4-d]pyrimidine;phosphoryl trichloride;2,2,2-trifluoroacetic acid;hydrochloride.
What is the SMILES notation for 5-amino-2-methylpyridine-4-carboxylic acid;tert-butyl N-[2-(azetidin-3-yl)ethyl]carbamate;tert-butyl N-[2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethyl]carbamate;tert-butyl N-[2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethylsulfamoyl]carbamate;4-chloro-6-methylpyrido[3,4-d]pyrimidine;N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonyl-1-[(2-methylpropan-2-yl)oxy]methanimidate;2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid;6-methyl-3H-pyrido[3,4-d]pyrimidin-4-one;2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethanamine;6-methyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]pyrido[3,4-d]pyrimidine;phosphoryl trichloride;2,2,2-trifluoroacetic acid;hydrochloride?
The canonical SMILES for 5-amino-2-methylpyridine-4-carboxylic acid;tert-butyl N-[2-(azetidin-3-yl)ethyl]carbamate;tert-butyl N-[2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethyl]carbamate;tert-butyl N-[2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethylsulfamoyl]carbamate;4-chloro-6-methylpyrido[3,4-d]pyrimidine;N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonyl-1-[(2-methylpropan-2-yl)oxy]methanimidate;2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid;6-methyl-3H-pyrido[3,4-d]pyrimidin-4-one;2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethanamine;6-methyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]pyrido[3,4-d]pyrimidine;phosphoryl trichloride;2,2,2-trifluoroacetic acid;hydrochloride is CC(C)(C)OC(=O)NCCC1CNC1.CN(C)c1cc[n+](S(=O)(=O)N=C([O-])OC(C)(C)C)cc1.Cc1cc(C(=O)O)c(N)cn1.Cc1cc(C(=O)O)c(NC(=O)OC(C)(C)C)cn1.Cc1cc2c(=O)[nH]cnc2cn1.Cc1cc2c(Cl)ncnc2cn1.Cc1cc2c(N3CC(CCN)C3)ncnc2cn1.Cc1cc2c(N3CC(CCNC(=O)OC(C)(C)C)C3)ncnc2cn1.Cc1cc2c(N3CC(CCNS(=O)(=O)NC(=O)OC(C)(C)C)C3)ncnc2cn1.Cc1cc2c(N3CC(CCNS(N)(=O)=O)C3)ncnc2cn1.Cl.O=C(O)C(F)(F)F.O=P(Cl)(Cl)Cl.
What is the InChIKey of 5-amino-2-methylpyridine-4-carboxylic acid;tert-butyl N-[2-(azetidin-3-yl)ethyl]carbamate;tert-butyl N-[2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethyl]carbamate;tert-butyl N-[2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethylsulfamoyl]carbamate;4-chloro-6-methylpyrido[3,4-d]pyrimidine;N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonyl-1-[(2-methylpropan-2-yl)oxy]methanimidate;2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid;6-methyl-3H-pyrido[3,4-d]pyrimidin-4-one;2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethanamine;6-methyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]pyrido[3,4-d]pyrimidine;phosphoryl trichloride;2,2,2-trifluoroacetic acid;hydrochloride?
The InChIKey is MAKATGHBFOABJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O4S.C18H25N5O2.C13H18N6O2S.C13H17N5.C12H19N3O4S.C12H16N2O4.C10H20N2O2.C8H6ClN3.C8H7N3O.C7H8N2O2.C2HF3O2.Cl3OP.ClH/c1-12-7-14-15(8-19-12)20-11-21-16(14)24-9-13(10-24)5-6-22-29(26,27)23-17(25)28-18(2,3)4;1-12-7-14-15(8-20-12)21-11-22-16(14)23-9-13(10-23)5-6-19-17(24)25-18(2,3)4;1-9-4-11-12(5-15-9)16-8-17-13(11)19-6-10(7-19)2-3-18-22(14,20)21;1-9-4-11-12(5-15-9)16-8-17-13(11)18-6-10(7-18)2-3-14;1-12(2,3)19-11(16)13-20(17,18)15-8-6-10(7-9-15)14(4)5;1-7-5-8(10(15)16)9(6-13-7)14-11(17)18-12(2,3)4;1-10(2,3)14-9(13)12-5-4-8-6-11-7-8;1-5-2-6-7(3-10-5)11-4-12-8(6)9;1-5-2-6-7(3-9-5)10-4-11-8(6)12;1-4-2-5(7(10)11)6(8)3-9-4;3-2(4,5)1(6)7;1-5(2,3)4;/h7-8,11,13,22H,5-6,9-10H2,1-4H3,(H,23,25);7-8,11,13H,5-6,9-10H2,1-4H3,(H,19,24);4-5,8,10,18H,2-3,6-7H2,1H3,(H2,14,20,21);4-5,8,10H,2-3,6-7,14H2,1H3;6-9H,1-5H3;5-6H,1-4H3,(H,14,17)(H,15,16);8,11H,4-7H2,1-3H3,(H,12,13);2-4H,1H3;2-4H,1H3,(H,10,11,12);2-3H,8H2,1H3,(H,10,11);(H,6,7);;1H.
What are the key properties of 5-amino-2-methylpyridine-4-carboxylic acid;tert-butyl N-[2-(azetidin-3-yl)ethyl]carbamate;tert-butyl N-[2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethyl]carbamate;tert-butyl N-[2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethylsulfamoyl]carbamate;4-chloro-6-methylpyrido[3,4-d]pyrimidine;N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonyl-1-[(2-methylpropan-2-yl)oxy]methanimidate;2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid;6-methyl-3H-pyrido[3,4-d]pyrimidin-4-one;2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethanamine;6-methyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]pyrido[3,4-d]pyrimidine;phosphoryl trichloride;2,2,2-trifluoroacetic acid;hydrochloride?
5-amino-2-methylpyridine-4-carboxylic acid;tert-butyl N-[2-(azetidin-3-yl)ethyl]carbamate;tert-butyl N-[2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethyl]carbamate;tert-butyl N-[2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethylsulfamoyl]carbamate;4-chloro-6-methylpyrido[3,4-d]pyrimidine;N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonyl-1-[(2-methylpropan-2-yl)oxy]methanimidate;2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid;6-methyl-3H-pyrido[3,4-d]pyrimidin-4-one;2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethanamine;6-methyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]pyrido[3,4-d]pyrimidine;phosphoryl trichloride;2,2,2-trifluoroacetic acid;hydrochloride has a molecular weight of 2882.31 g/mol, XLogP of 15.64, 27 rotatable bonds, 14 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methylpyridine-4-carboxylic acid;tert-butyl N-[2-(azetidin-3-yl)ethyl]carbamate;tert-butyl N-[2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethyl]carbamate;tert-butyl N-[2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethylsulfamoyl]carbamate;4-chloro-6-methylpyrido[3,4-d]pyrimidine;N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonyl-1-[(2-methylpropan-2-yl)oxy]methanimidate;2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid;6-methyl-3H-pyrido[3,4-d]pyrimidin-4-one;2-[1-(6-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]ethanamine;6-methyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]pyrido[3,4-d]pyrimidine;phosphoryl trichloride;2,2,2-trifluoroacetic acid;hydrochloride is sourced from PubChem (CID 165068995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).