potassium;tert-butyl 3-[3,5-dioxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopenten-1-yl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxylate;tert-butyl 6-fluoro-3-(2-methoxy-2-oxoacetyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxylate;diethyl propanedioate;ethyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetate;4-(6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)-5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-4-ene-1,3-dione;2-methylpropan-2-olate;phosphoryl trichloride;piperidine-1-carbonyl chloride;pyridin-2-ylmethanamine;2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide;hydrochloride

C109H120Cl5F3KN22O21P — CID 160637005

About potassium;tert-butyl 3-[3,5-dioxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopenten-1-yl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxylate;tert-butyl 6-fluoro-3-(2-methoxy-2-oxoacetyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxylate;diethyl propanedioate;ethyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetate;4-(6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)-5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-4-ene-1,3-dione;2-methylpropan-2-olate;phosphoryl trichloride;piperidine-1-carbonyl chloride;pyridin-2-ylmethanamine;2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide;hydrochloride

potassium;tert-butyl 3-[3,5-dioxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopenten-1-yl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxylate;tert-butyl 6-fluoro-3-(2-methoxy-2-oxoacetyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxylate;diethyl propanedioate;ethyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetate;4-(6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)-5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-4-ene-1,3-dione;2-methylpropan-2-olate;phosphoryl trichloride;piperidine-1-carbonyl chloride;pyridin-2-ylmethanamine;2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide;hydrochloride (PubChem CID 160637005) has the molecular formula C109H120Cl5F3KN22O21P and a molecular weight of 2378.62 g/mol. Its IUPAC name is potassium;tert-butyl 3-[3,5-dioxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopenten-1-yl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxylate;tert-butyl 6-fluoro-3-(2-methoxy-2-oxoacetyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxylate;diethyl propanedioate;ethyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetate;4-(6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)-5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-4-ene-1,3-dione;2-methylpropan-2-olate;phosphoryl trichloride;piperidine-1-carbonyl chloride;pyridin-2-ylmethanamine;2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide;hydrochloride.

Molecular Properties

• Compound Name: potassium;tert-butyl 3-[3,5-dioxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopenten-1-yl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxylate;tert-butyl 6-fluoro-3-(2-methoxy-2-oxoacetyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxylate;diethyl propanedioate;ethyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetate;4-(6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)-5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-4-ene-1,3-dione;2-methylpropan-2-olate;phosphoryl trichloride;piperidine-1-carbonyl chloride;pyridin-2-ylmethanamine;2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide;hydrochloride
• PubChem CID: 160637005
• Molecular Formula: C109H120Cl5F3KN22O21P
• Molecular Weight: 2378.62 g/mol
• Exact Mass: 2374.68
• IUPAC Name: potassium;tert-butyl 3-[3,5-dioxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopenten-1-yl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxylate;tert-butyl 6-fluoro-3-(2-methoxy-2-oxoacetyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxylate;diethyl propanedioate;ethyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetate;4-(6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)-5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-4-ene-1,3-dione;2-methylpropan-2-olate;phosphoryl trichloride;piperidine-1-carbonyl chloride;pyridin-2-ylmethanamine;2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide;hydrochloride
• SMILES: CC(C)(C)OC(=O)N1CCn2cc(C3=C(c4nnc5ccccn45)C(=O)CC3=O)c3cc(F)cc(c32)C1.CC(C)(C)[O-].CCOC(=O)CC(=O)OCC.CCOC(=O)Cc1nnc2ccccn12.COC(=O)C(=O)c1cn2c3c(cc(F)cc13)CN(C(=O)OC(C)(C)C)CC2.Cl.NC(=O)Cc1nnc2ccccn12.NCc1ccccn1.O=C(Cl)N1CCCCC1.O=C1CC(=O)C(c2nnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CNCC2.O=P(Cl)(Cl)Cl.[K+]
• InChI: InChI=1S/C27H24FN5O4.C22H16FN5O2.C19H21FN2O5.C10H11N3O2.C8H8N4O.C7H12O4.C6H10ClNO.C6H8N2.C4H9O.Cl3OP.ClH.K/c1-27(2,3)37-26(36)32-9-8-31-14-18(17-11-16(28)10-15(13-32)24(17)31)22-19(34)12-20(35)23(22)25-30-29-21-6-4-5-7-33(21)25;23-13-7-12-10-24-4-6-27-11-15(14(8-13)21(12)27)19-16(29)9-17(30)20(19)22-26-25-18-3-1-2-5-28(18)22;1-19(2,3)27-18(25)22-6-5-21-10-14(16(23)17(24)26-4)13-8-12(20)7-11(9-22)15(13)21;1-2-15-10(14)7-9-12-11-8-5-3-4-6-13(8)9;9-6(13)5-8-11-10-7-3-1-2-4-12(7)8;1-3-10-6(8)5-7(9)11-4-2;7-6(9)8-4-2-1-3-5-8;7-5-6-3-1-2-4-8-6;1-4(2,3)5;1-5(2,3)4;;/h4-7,10-11,14H,8-9,12-13H2,1-3H3;1-3,5,7-8,11,24H,4,6,9-10H2;7-8,10H,5-6,9H2,1-4H3;3-6H,2,7H2,1H3;1-4H,5H2,(H2,9,13);3-5H2,1-2H3;1-5H2;1-4H,5,7H2;1-3H3;;1H;/q;;;;;;;;-1;;;+1
• InChIKey: UFEOPQXFKXFANA-UHFFFAOYSA-N
• XLogP: 13.14
• TPSA: 539.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 39
• Rotatable Bonds: 16
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2378.62
LogP ≤ 5	13.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;tert-butyl 3-[3,5-dioxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopenten-1-yl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxylate;tert-butyl 6-fluoro-3-(2-methoxy-2-oxoacetyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxylate;diethyl propanedioate;ethyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetate;4-(6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)-5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-4-ene-1,3-dione;2-methylpropan-2-olate;phosphoryl trichloride;piperidine-1-carbonyl chloride;pyridin-2-ylmethanamine;2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide;hydrochloride?

The IUPAC name of potassium;tert-butyl 3-[3,5-dioxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopenten-1-yl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxylate;tert-butyl 6-fluoro-3-(2-methoxy-2-oxoacetyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxylate;diethyl propanedioate;ethyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetate;4-(6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)-5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-4-ene-1,3-dione;2-methylpropan-2-olate;phosphoryl trichloride;piperidine-1-carbonyl chloride;pyridin-2-ylmethanamine;2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide;hydrochloride (CID 160637005) is potassium;tert-butyl 3-[3,5-dioxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopenten-1-yl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxylate;tert-butyl 6-fluoro-3-(2-methoxy-2-oxoacetyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxylate;diethyl propanedioate;ethyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetate;4-(6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)-5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-4-ene-1,3-dione;2-methylpropan-2-olate;phosphoryl trichloride;piperidine-1-carbonyl chloride;pyridin-2-ylmethanamine;2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide;hydrochloride.

What is the SMILES notation for potassium;tert-butyl 3-[3,5-dioxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopenten-1-yl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxylate;tert-butyl 6-fluoro-3-(2-methoxy-2-oxoacetyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxylate;diethyl propanedioate;ethyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetate;4-(6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)-5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-4-ene-1,3-dione;2-methylpropan-2-olate;phosphoryl trichloride;piperidine-1-carbonyl chloride;pyridin-2-ylmethanamine;2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide;hydrochloride?

The canonical SMILES for potassium;tert-butyl 3-[3,5-dioxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopenten-1-yl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxylate;tert-butyl 6-fluoro-3-(2-methoxy-2-oxoacetyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxylate;diethyl propanedioate;ethyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetate;4-(6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)-5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-4-ene-1,3-dione;2-methylpropan-2-olate;phosphoryl trichloride;piperidine-1-carbonyl chloride;pyridin-2-ylmethanamine;2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide;hydrochloride is CC(C)(C)OC(=O)N1CCn2cc(C3=C(c4nnc5ccccn45)C(=O)CC3=O)c3cc(F)cc(c32)C1.CC(C)(C)[O-].CCOC(=O)CC(=O)OCC.CCOC(=O)Cc1nnc2ccccn12.COC(=O)C(=O)c1cn2c3c(cc(F)cc13)CN(C(=O)OC(C)(C)C)CC2.Cl.NC(=O)Cc1nnc2ccccn12.NCc1ccccn1.O=C(Cl)N1CCCCC1.O=C1CC(=O)C(c2nnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CNCC2.O=P(Cl)(Cl)Cl.[K+].

What is the InChIKey of potassium;tert-butyl 3-[3,5-dioxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopenten-1-yl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxylate;tert-butyl 6-fluoro-3-(2-methoxy-2-oxoacetyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxylate;diethyl propanedioate;ethyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetate;4-(6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)-5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-4-ene-1,3-dione;2-methylpropan-2-olate;phosphoryl trichloride;piperidine-1-carbonyl chloride;pyridin-2-ylmethanamine;2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide;hydrochloride?

The InChIKey is UFEOPQXFKXFANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5O4.C22H16FN5O2.C19H21FN2O5.C10H11N3O2.C8H8N4O.C7H12O4.C6H10ClNO.C6H8N2.C4H9O.Cl3OP.ClH.K/c1-27(2,3)37-26(36)32-9-8-31-14-18(17-11-16(28)10-15(13-32)24(17)31)22-19(34)12-20(35)23(22)25-30-29-21-6-4-5-7-33(21)25;23-13-7-12-10-24-4-6-27-11-15(14(8-13)21(12)27)19-16(29)9-17(30)20(19)22-26-25-18-3-1-2-5-28(18)22;1-19(2,3)27-18(25)22-6-5-21-10-14(16(23)17(24)26-4)13-8-12(20)7-11(9-22)15(13)21;1-2-15-10(14)7-9-12-11-8-5-3-4-6-13(8)9;9-6(13)5-8-11-10-7-3-1-2-4-12(7)8;1-3-10-6(8)5-7(9)11-4-2;7-6(9)8-4-2-1-3-5-8;7-5-6-3-1-2-4-8-6;1-4(2,3)5;1-5(2,3)4;;/h4-7,10-11,14H,8-9,12-13H2,1-3H3;1-3,5,7-8,11,24H,4,6,9-10H2;7-8,10H,5-6,9H2,1-4H3;3-6H,2,7H2,1H3;1-4H,5H2,(H2,9,13);3-5H2,1-2H3;1-5H2;1-4H,5,7H2;1-3H3;;1H;/q;;;;;;;;-1;;;+1.

What are the key properties of potassium;tert-butyl 3-[3,5-dioxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopenten-1-yl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxylate;tert-butyl 6-fluoro-3-(2-methoxy-2-oxoacetyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxylate;diethyl propanedioate;ethyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetate;4-(6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)-5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-4-ene-1,3-dione;2-methylpropan-2-olate;phosphoryl trichloride;piperidine-1-carbonyl chloride;pyridin-2-ylmethanamine;2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide;hydrochloride?

potassium;tert-butyl 3-[3,5-dioxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopenten-1-yl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxylate;tert-butyl 6-fluoro-3-(2-methoxy-2-oxoacetyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxylate;diethyl propanedioate;ethyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetate;4-(6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)-5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-4-ene-1,3-dione;2-methylpropan-2-olate;phosphoryl trichloride;piperidine-1-carbonyl chloride;pyridin-2-ylmethanamine;2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide;hydrochloride has a molecular weight of 2378.62 g/mol, XLogP of 13.14, 16 rotatable bonds, 3 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;tert-butyl 3-[3,5-dioxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopenten-1-yl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxylate;tert-butyl 6-fluoro-3-(2-methoxy-2-oxoacetyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxylate;diethyl propanedioate;ethyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetate;4-(6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)-5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-4-ene-1,3-dione;2-methylpropan-2-olate;phosphoryl trichloride;piperidine-1-carbonyl chloride;pyridin-2-ylmethanamine;2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 160637005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).