dicesium;2-[3-carbamoyl-5-[(4-methylpyrimidin-2-yl)methoxy]indazol-1-yl]acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(4-methylpyrimidin-2-yl)methoxy]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;2-(chloromethyl)-4-methylpyrimidine;hydride;1-(5-hydroxy-3-isocyanoindazol-1-yl)propan-2-one;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;5-[(4-methylpyrimidin-2-yl)methoxy]-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;2,2,2-trifluoroacetaldehyde

C105H108Cl3Cs2F5N26O21 — CID 160844697

About dicesium;2-[3-carbamoyl-5-[(4-methylpyrimidin-2-yl)methoxy]indazol-1-yl]acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(4-methylpyrimidin-2-yl)methoxy]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;2-(chloromethyl)-4-methylpyrimidine;hydride;1-(5-hydroxy-3-isocyanoindazol-1-yl)propan-2-one;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;5-[(4-methylpyrimidin-2-yl)methoxy]-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;2,2,2-trifluoroacetaldehyde

dicesium;2-[3-carbamoyl-5-[(4-methylpyrimidin-2-yl)methoxy]indazol-1-yl]acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(4-methylpyrimidin-2-yl)methoxy]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;2-(chloromethyl)-4-methylpyrimidine;hydride;1-(5-hydroxy-3-isocyanoindazol-1-yl)propan-2-one;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;5-[(4-methylpyrimidin-2-yl)methoxy]-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;2,2,2-trifluoroacetaldehyde (PubChem CID 160844697) has the molecular formula C105H108Cl3Cs2F5N26O21 and a molecular weight of 2537.34 g/mol. Its IUPAC name is dicesium;2-[3-carbamoyl-5-[(4-methylpyrimidin-2-yl)methoxy]indazol-1-yl]acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(4-methylpyrimidin-2-yl)methoxy]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;2-(chloromethyl)-4-methylpyrimidine;hydride;1-(5-hydroxy-3-isocyanoindazol-1-yl)propan-2-one;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;5-[(4-methylpyrimidin-2-yl)methoxy]-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: dicesium;2-[3-carbamoyl-5-[(4-methylpyrimidin-2-yl)methoxy]indazol-1-yl]acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(4-methylpyrimidin-2-yl)methoxy]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;2-(chloromethyl)-4-methylpyrimidine;hydride;1-(5-hydroxy-3-isocyanoindazol-1-yl)propan-2-one;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;5-[(4-methylpyrimidin-2-yl)methoxy]-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;2,2,2-trifluoroacetaldehyde
• PubChem CID: 160844697
• Molecular Formula: C105H108Cl3Cs2F5N26O21
• Molecular Weight: 2537.34 g/mol
• Exact Mass: 2534.53
• IUPAC Name: dicesium;2-[3-carbamoyl-5-[(4-methylpyrimidin-2-yl)methoxy]indazol-1-yl]acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(4-methylpyrimidin-2-yl)methoxy]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;2-(chloromethyl)-4-methylpyrimidine;hydride;1-(5-hydroxy-3-isocyanoindazol-1-yl)propan-2-one;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;5-[(4-methylpyrimidin-2-yl)methoxy]-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;2,2,2-trifluoroacetaldehyde
• SMILES: CC(=O)Cn1nc(C(N)=O)c2cc(O)ccc21.CC(=O)Cn1nc(C(N)=O)c2cc(OCc3nccc(C)n3)ccc21.CC(C)CCC(=O)NCc1cccc(Cl)c1F.Cc1ccnc(CCl)n1.Cc1ccnc(COc2ccc3c(c2)c(C(N)=O)nn3CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)n1.Cc1ccnc(COc2ccc3c(c2)c(C(N)=O)nn3CC(=O)O)n1.O=CC(F)(F)F.O=CO[O-].[C-]#[N+]c1nn(CC(C)=O)c2ccc(O)cc12.[Cs+].[Cs+].[H-]
• InChI: InChI=1S/C28H29ClFN7O4.C17H17N5O3.C16H15N5O4.C13H17ClFNO.C11H11N3O3.C11H9N3O2.C6H7ClN2.C2HF3O.CH2O3.2Cs.H/c1-16(2)36(13-24(38)33-12-18-5-4-6-21(29)26(18)30)25(39)14-37-22-8-7-19(11-20(22)27(35-37)28(31)40)41-15-23-32-10-9-17(3)34-23;1-10-5-6-19-15(20-10)9-25-12-3-4-14-13(7-12)16(17(18)24)21-22(14)8-11(2)23;1-9-4-5-18-13(19-9)8-25-10-2-3-12-11(6-10)15(16(17)24)20-21(12)7-14(22)23;1-9(2)6-7-12(17)16-8-10-4-3-5-11(14)13(10)15;1-6(15)5-14-9-3-2-7(16)4-8(9)10(13-14)11(12)17;1-7(15)6-14-10-4-3-8(16)5-9(10)11(12-2)13-14;1-5-2-3-8-6(4-7)9-5;3-2(4,5)1-6;2-1-4-3;;;/h4-11,16H,12-15H2,1-3H3,(H2,31,40)(H,33,38);3-7H,8-9H2,1-2H3,(H2,18,24);2-6H,7-8H2,1H3,(H2,17,24)(H,22,23);3-5,9H,6-8H2,1-2H3,(H,16,17);2-4,16H,5H2,1H3,(H2,12,17);3-5,16H,6H2,1H3;2-3H,4H2,1H3;1H;1,3H;;;/q;;;;;;;;;2*+1;-1/p-1
• InChIKey: XLISJEFXFHXJHJ-UHFFFAOYSA-M
• XLogP: 6.13
• TPSA: 670.54 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 38
• Rotatable Bonds: 35
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2537.34
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dicesium;2-[3-carbamoyl-5-[(4-methylpyrimidin-2-yl)methoxy]indazol-1-yl]acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(4-methylpyrimidin-2-yl)methoxy]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;2-(chloromethyl)-4-methylpyrimidine;hydride;1-(5-hydroxy-3-isocyanoindazol-1-yl)propan-2-one;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;5-[(4-methylpyrimidin-2-yl)methoxy]-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;2,2,2-trifluoroacetaldehyde?

The IUPAC name of dicesium;2-[3-carbamoyl-5-[(4-methylpyrimidin-2-yl)methoxy]indazol-1-yl]acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(4-methylpyrimidin-2-yl)methoxy]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;2-(chloromethyl)-4-methylpyrimidine;hydride;1-(5-hydroxy-3-isocyanoindazol-1-yl)propan-2-one;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;5-[(4-methylpyrimidin-2-yl)methoxy]-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;2,2,2-trifluoroacetaldehyde (CID 160844697) is dicesium;2-[3-carbamoyl-5-[(4-methylpyrimidin-2-yl)methoxy]indazol-1-yl]acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(4-methylpyrimidin-2-yl)methoxy]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;2-(chloromethyl)-4-methylpyrimidine;hydride;1-(5-hydroxy-3-isocyanoindazol-1-yl)propan-2-one;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;5-[(4-methylpyrimidin-2-yl)methoxy]-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for dicesium;2-[3-carbamoyl-5-[(4-methylpyrimidin-2-yl)methoxy]indazol-1-yl]acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(4-methylpyrimidin-2-yl)methoxy]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;2-(chloromethyl)-4-methylpyrimidine;hydride;1-(5-hydroxy-3-isocyanoindazol-1-yl)propan-2-one;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;5-[(4-methylpyrimidin-2-yl)methoxy]-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for dicesium;2-[3-carbamoyl-5-[(4-methylpyrimidin-2-yl)methoxy]indazol-1-yl]acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(4-methylpyrimidin-2-yl)methoxy]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;2-(chloromethyl)-4-methylpyrimidine;hydride;1-(5-hydroxy-3-isocyanoindazol-1-yl)propan-2-one;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;5-[(4-methylpyrimidin-2-yl)methoxy]-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;2,2,2-trifluoroacetaldehyde is CC(=O)Cn1nc(C(N)=O)c2cc(O)ccc21.CC(=O)Cn1nc(C(N)=O)c2cc(OCc3nccc(C)n3)ccc21.CC(C)CCC(=O)NCc1cccc(Cl)c1F.Cc1ccnc(CCl)n1.Cc1ccnc(COc2ccc3c(c2)c(C(N)=O)nn3CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)n1.Cc1ccnc(COc2ccc3c(c2)c(C(N)=O)nn3CC(=O)O)n1.O=CC(F)(F)F.O=CO[O-].[C-]#[N+]c1nn(CC(C)=O)c2ccc(O)cc12.[Cs+].[Cs+].[H-].

What is the InChIKey of dicesium;2-[3-carbamoyl-5-[(4-methylpyrimidin-2-yl)methoxy]indazol-1-yl]acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(4-methylpyrimidin-2-yl)methoxy]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;2-(chloromethyl)-4-methylpyrimidine;hydride;1-(5-hydroxy-3-isocyanoindazol-1-yl)propan-2-one;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;5-[(4-methylpyrimidin-2-yl)methoxy]-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;2,2,2-trifluoroacetaldehyde?

The InChIKey is XLISJEFXFHXJHJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H29ClFN7O4.C17H17N5O3.C16H15N5O4.C13H17ClFNO.C11H11N3O3.C11H9N3O2.C6H7ClN2.C2HF3O.CH2O3.2Cs.H/c1-16(2)36(13-24(38)33-12-18-5-4-6-21(29)26(18)30)25(39)14-37-22-8-7-19(11-20(22)27(35-37)28(31)40)41-15-23-32-10-9-17(3)34-23;1-10-5-6-19-15(20-10)9-25-12-3-4-14-13(7-12)16(17(18)24)21-22(14)8-11(2)23;1-9-4-5-18-13(19-9)8-25-10-2-3-12-11(6-10)15(16(17)24)20-21(12)7-14(22)23;1-9(2)6-7-12(17)16-8-10-4-3-5-11(14)13(10)15;1-6(15)5-14-9-3-2-7(16)4-8(9)10(13-14)11(12)17;1-7(15)6-14-10-4-3-8(16)5-9(10)11(12-2)13-14;1-5-2-3-8-6(4-7)9-5;3-2(4,5)1-6;2-1-4-3;;;/h4-11,16H,12-15H2,1-3H3,(H2,31,40)(H,33,38);3-7H,8-9H2,1-2H3,(H2,18,24);2-6H,7-8H2,1H3,(H2,17,24)(H,22,23);3-5,9H,6-8H2,1-2H3,(H,16,17);2-4,16H,5H2,1H3,(H2,12,17);3-5,16H,6H2,1H3;2-3H,4H2,1H3;1H;1,3H;;;/q;;;;;;;;;2*+1;-1/p-1.

What are the key properties of dicesium;2-[3-carbamoyl-5-[(4-methylpyrimidin-2-yl)methoxy]indazol-1-yl]acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(4-methylpyrimidin-2-yl)methoxy]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;2-(chloromethyl)-4-methylpyrimidine;hydride;1-(5-hydroxy-3-isocyanoindazol-1-yl)propan-2-one;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;5-[(4-methylpyrimidin-2-yl)methoxy]-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;2,2,2-trifluoroacetaldehyde?

dicesium;2-[3-carbamoyl-5-[(4-methylpyrimidin-2-yl)methoxy]indazol-1-yl]acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(4-methylpyrimidin-2-yl)methoxy]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;2-(chloromethyl)-4-methylpyrimidine;hydride;1-(5-hydroxy-3-isocyanoindazol-1-yl)propan-2-one;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;5-[(4-methylpyrimidin-2-yl)methoxy]-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;2,2,2-trifluoroacetaldehyde has a molecular weight of 2537.34 g/mol, XLogP of 6.13, 35 rotatable bonds, 9 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for dicesium;2-[3-carbamoyl-5-[(4-methylpyrimidin-2-yl)methoxy]indazol-1-yl]acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(4-methylpyrimidin-2-yl)methoxy]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;2-(chloromethyl)-4-methylpyrimidine;hydride;1-(5-hydroxy-3-isocyanoindazol-1-yl)propan-2-one;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;5-[(4-methylpyrimidin-2-yl)methoxy]-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 160844697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).