dipotassium;2-bromopyrimidine;2-(3-carbamoyl-5-pyrimidin-2-yloxyindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-2-yloxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;hydride;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;1-(2-oxopropyl)-5-pyrimidin-2-yloxyindazole-3-carboxamide;2,2,2-trifluoroacetaldehyde

C86H83BrCl2F5K2N23O19 — CID 161038642

About dipotassium;2-bromopyrimidine;2-(3-carbamoyl-5-pyrimidin-2-yloxyindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-2-yloxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;hydride;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;1-(2-oxopropyl)-5-pyrimidin-2-yloxyindazole-3-carboxamide;2,2,2-trifluoroacetaldehyde

dipotassium;2-bromopyrimidine;2-(3-carbamoyl-5-pyrimidin-2-yloxyindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-2-yloxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;hydride;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;1-(2-oxopropyl)-5-pyrimidin-2-yloxyindazole-3-carboxamide;2,2,2-trifluoroacetaldehyde (PubChem CID 161038642) has the molecular formula C86H83BrCl2F5K2N23O19 and a molecular weight of 2066.75 g/mol. Its IUPAC name is dipotassium;2-bromopyrimidine;2-(3-carbamoyl-5-pyrimidin-2-yloxyindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-2-yloxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;hydride;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;1-(2-oxopropyl)-5-pyrimidin-2-yloxyindazole-3-carboxamide;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: dipotassium;2-bromopyrimidine;2-(3-carbamoyl-5-pyrimidin-2-yloxyindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-2-yloxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;hydride;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;1-(2-oxopropyl)-5-pyrimidin-2-yloxyindazole-3-carboxamide;2,2,2-trifluoroacetaldehyde
• PubChem CID: 161038642
• Molecular Formula: C86H83BrCl2F5K2N23O19
• Molecular Weight: 2066.75 g/mol
• Exact Mass: 2063.40
• IUPAC Name: dipotassium;2-bromopyrimidine;2-(3-carbamoyl-5-pyrimidin-2-yloxyindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-2-yloxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;hydride;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;1-(2-oxopropyl)-5-pyrimidin-2-yloxyindazole-3-carboxamide;2,2,2-trifluoroacetaldehyde
• SMILES: Brc1ncccn1.CC(=O)Cn1nc(C(N)=O)c2cc(O)ccc21.CC(=O)Cn1nc(C(N)=O)c2cc(Oc3ncccn3)ccc21.CC(C)CCC(=O)NCc1cccc(Cl)c1F.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(Oc3ncccn3)ccc21.NC(=O)c1nn(CC(=O)O)c2ccc(Oc3ncccn3)cc12.O=CC(F)(F)F.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C26H25ClFN7O4.C15H13N5O3.C14H11N5O4.C13H17ClFNO.C11H11N3O3.C4H3BrN2.C2HF3O.CH2O3.2K.H/c1-15(2)34(13-21(36)32-12-16-5-3-6-19(27)23(16)28)22(37)14-35-20-8-7-17(39-26-30-9-4-10-31-26)11-18(20)24(33-35)25(29)38;1-9(21)8-20-12-4-3-10(23-15-17-5-2-6-18-15)7-11(12)13(19-20)14(16)22;15-13(22)12-9-6-8(23-14-16-4-1-5-17-14)2-3-10(9)19(18-12)7-11(20)21;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;5-4-6-2-1-3-7-4;3-2(4,5)1-6;2-1-4-3;;;/h3-11,15H,12-14H2,1-2H3,(H2,29,38)(H,32,36);2-7H,8H2,1H3,(H2,16,22);1-6H,7H2,(H2,15,22)(H,20,21);3-5,9H,6-8H2,1-2H3,(H,16,17);2-4,16H,5H2,1H3,(H2,12,17);1-3H;1H;1,3H;;;/q;;;;;;;;2*+1;-1/p-1
• InChIKey: NDDLXKMRUYZZDD-UHFFFAOYSA-M
• XLogP: 3.68
• TPSA: 611.06 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 34
• Rotatable Bonds: 29
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2066.75
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', '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 dipotassium;2-bromopyrimidine;2-(3-carbamoyl-5-pyrimidin-2-yloxyindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-2-yloxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;hydride;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;1-(2-oxopropyl)-5-pyrimidin-2-yloxyindazole-3-carboxamide;2,2,2-trifluoroacetaldehyde?

The IUPAC name of dipotassium;2-bromopyrimidine;2-(3-carbamoyl-5-pyrimidin-2-yloxyindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-2-yloxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;hydride;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;1-(2-oxopropyl)-5-pyrimidin-2-yloxyindazole-3-carboxamide;2,2,2-trifluoroacetaldehyde (CID 161038642) is dipotassium;2-bromopyrimidine;2-(3-carbamoyl-5-pyrimidin-2-yloxyindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-2-yloxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;hydride;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;1-(2-oxopropyl)-5-pyrimidin-2-yloxyindazole-3-carboxamide;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for dipotassium;2-bromopyrimidine;2-(3-carbamoyl-5-pyrimidin-2-yloxyindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-2-yloxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;hydride;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;1-(2-oxopropyl)-5-pyrimidin-2-yloxyindazole-3-carboxamide;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for dipotassium;2-bromopyrimidine;2-(3-carbamoyl-5-pyrimidin-2-yloxyindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-2-yloxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;hydride;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;1-(2-oxopropyl)-5-pyrimidin-2-yloxyindazole-3-carboxamide;2,2,2-trifluoroacetaldehyde is Brc1ncccn1.CC(=O)Cn1nc(C(N)=O)c2cc(O)ccc21.CC(=O)Cn1nc(C(N)=O)c2cc(Oc3ncccn3)ccc21.CC(C)CCC(=O)NCc1cccc(Cl)c1F.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(Oc3ncccn3)ccc21.NC(=O)c1nn(CC(=O)O)c2ccc(Oc3ncccn3)cc12.O=CC(F)(F)F.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;2-bromopyrimidine;2-(3-carbamoyl-5-pyrimidin-2-yloxyindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-2-yloxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;hydride;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;1-(2-oxopropyl)-5-pyrimidin-2-yloxyindazole-3-carboxamide;2,2,2-trifluoroacetaldehyde?

The InChIKey is NDDLXKMRUYZZDD-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H25ClFN7O4.C15H13N5O3.C14H11N5O4.C13H17ClFNO.C11H11N3O3.C4H3BrN2.C2HF3O.CH2O3.2K.H/c1-15(2)34(13-21(36)32-12-16-5-3-6-19(27)23(16)28)22(37)14-35-20-8-7-17(39-26-30-9-4-10-31-26)11-18(20)24(33-35)25(29)38;1-9(21)8-20-12-4-3-10(23-15-17-5-2-6-18-15)7-11(12)13(19-20)14(16)22;15-13(22)12-9-6-8(23-14-16-4-1-5-17-14)2-3-10(9)19(18-12)7-11(20)21;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;5-4-6-2-1-3-7-4;3-2(4,5)1-6;2-1-4-3;;;/h3-11,15H,12-14H2,1-2H3,(H2,29,38)(H,32,36);2-7H,8H2,1H3,(H2,16,22);1-6H,7H2,(H2,15,22)(H,20,21);3-5,9H,6-8H2,1-2H3,(H,16,17);2-4,16H,5H2,1H3,(H2,12,17);1-3H;1H;1,3H;;;/q;;;;;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;2-bromopyrimidine;2-(3-carbamoyl-5-pyrimidin-2-yloxyindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-2-yloxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;hydride;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;1-(2-oxopropyl)-5-pyrimidin-2-yloxyindazole-3-carboxamide;2,2,2-trifluoroacetaldehyde?

dipotassium;2-bromopyrimidine;2-(3-carbamoyl-5-pyrimidin-2-yloxyindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-2-yloxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;hydride;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;1-(2-oxopropyl)-5-pyrimidin-2-yloxyindazole-3-carboxamide;2,2,2-trifluoroacetaldehyde has a molecular weight of 2066.75 g/mol, XLogP of 3.68, 29 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;2-bromopyrimidine;2-(3-carbamoyl-5-pyrimidin-2-yloxyindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-2-yloxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;hydride;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;1-(2-oxopropyl)-5-pyrimidin-2-yloxyindazole-3-carboxamide;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 161038642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).