dipotassium;1-[2-[(3-aminocyclobutyl)methyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one;tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(3-methylcyclobutyl)methyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methylcyclobutyl)methylamino]acetamide;hydride;methane;oxido formate;2,2,2-trifluoroacetaldehyde

C99H122BrCl4F7K2N18O17 — CID 158864011

About dipotassium;1-[2-[(3-aminocyclobutyl)methyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one;tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(3-methylcyclobutyl)methyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methylcyclobutyl)methylamino]acetamide;hydride;methane;oxido formate;2,2,2-trifluoroacetaldehyde

dipotassium;1-[2-[(3-aminocyclobutyl)methyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one;tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(3-methylcyclobutyl)methyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methylcyclobutyl)methylamino]acetamide;hydride;methane;oxido formate;2,2,2-trifluoroacetaldehyde (PubChem CID 158864011) has the molecular formula C99H122BrCl4F7K2N18O17 and a molecular weight of 2269.07 g/mol. Its IUPAC name is dipotassium;1-[2-[(3-aminocyclobutyl)methyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one;tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(3-methylcyclobutyl)methyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methylcyclobutyl)methylamino]acetamide;hydride;methane;oxido formate;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: dipotassium;1-[2-[(3-aminocyclobutyl)methyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one;tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(3-methylcyclobutyl)methyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methylcyclobutyl)methylamino]acetamide;hydride;methane;oxido formate;2,2,2-trifluoroacetaldehyde
• PubChem CID: 158864011
• Molecular Formula: C99H122BrCl4F7K2N18O17
• Molecular Weight: 2269.07 g/mol
• Exact Mass: 2264.63
• IUPAC Name: dipotassium;1-[2-[(3-aminocyclobutyl)methyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one;tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(3-methylcyclobutyl)methyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methylcyclobutyl)methylamino]acetamide;hydride;methane;oxido formate;2,2,2-trifluoroacetaldehyde
• SMILES: C.C.CC(C)(C)OC(=O)NC1CC(CN)C1.CC1CC(CN(CC(=O)NCc2cccc(Cl)c2F)C(=O)Cn2nc(C(N)=O)c3ccccc32)C1.CC1CC(CNCC(=O)NCc2cccc(Cl)c2F)C1.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)CC2CC(N)C2)c2ccccc12.NC(=O)c1nn(CC(=O)O)c2ccccc12.O=C(CBr)CCc1cccc(Cl)c1F.O=CC(F)(F)F.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C25H27ClFN5O3.C24H26ClFN6O3.C15H20ClFN2O.C10H9BrClFO.C10H9N3O3.C10H20N2O2.C2HF3O.CH2O3.2CH4.2K.H/c1-15-9-16(10-15)12-31(13-21(33)29-11-17-5-4-7-19(26)23(17)27)22(34)14-32-20-8-3-2-6-18(20)24(30-32)25(28)35;25-18-6-3-4-15(22(18)26)10-29-20(33)12-31(11-14-8-16(27)9-14)21(34)13-32-19-7-2-1-5-17(19)23(30-32)24(28)35;1-10-5-11(6-10)7-18-9-14(20)19-8-12-3-2-4-13(16)15(12)17;11-6-8(14)5-4-7-2-1-3-9(12)10(7)13;11-10(16)9-6-3-1-2-4-7(6)13(12-9)5-8(14)15;1-10(2,3)14-9(13)12-8-4-7(5-8)6-11;3-2(4,5)1-6;2-1-4-3;;;;;/h2-8,15-16H,9-14H2,1H3,(H2,28,35)(H,29,33);1-7,14,16H,8-13,27H2,(H2,28,35)(H,29,33);2-4,10-11,18H,5-9H2,1H3,(H,19,20);1-3H,4-6H2;1-4H,5H2,(H2,11,16)(H,14,15);7-8H,4-6,11H2,1-3H3,(H,12,13);1H;1,3H;2*1H4;;;/q;;;;;;;;;;2*+1;-1/p-1
• InChIKey: ZPUHPLPSAQDZHX-UHFFFAOYSA-M
• XLogP: 7.08
• TPSA: 533.85 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 25
• Rotatable Bonds: 34
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2269.07
LogP ≤ 5	7.08
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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;1-[2-[(3-aminocyclobutyl)methyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one;tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(3-methylcyclobutyl)methyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methylcyclobutyl)methylamino]acetamide;hydride;methane;oxido formate;2,2,2-trifluoroacetaldehyde?

The IUPAC name of dipotassium;1-[2-[(3-aminocyclobutyl)methyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one;tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(3-methylcyclobutyl)methyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methylcyclobutyl)methylamino]acetamide;hydride;methane;oxido formate;2,2,2-trifluoroacetaldehyde (CID 158864011) is dipotassium;1-[2-[(3-aminocyclobutyl)methyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one;tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(3-methylcyclobutyl)methyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methylcyclobutyl)methylamino]acetamide;hydride;methane;oxido formate;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for dipotassium;1-[2-[(3-aminocyclobutyl)methyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one;tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(3-methylcyclobutyl)methyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methylcyclobutyl)methylamino]acetamide;hydride;methane;oxido formate;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for dipotassium;1-[2-[(3-aminocyclobutyl)methyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one;tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(3-methylcyclobutyl)methyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methylcyclobutyl)methylamino]acetamide;hydride;methane;oxido formate;2,2,2-trifluoroacetaldehyde is C.C.CC(C)(C)OC(=O)NC1CC(CN)C1.CC1CC(CN(CC(=O)NCc2cccc(Cl)c2F)C(=O)Cn2nc(C(N)=O)c3ccccc32)C1.CC1CC(CNCC(=O)NCc2cccc(Cl)c2F)C1.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)CC2CC(N)C2)c2ccccc12.NC(=O)c1nn(CC(=O)O)c2ccccc12.O=C(CBr)CCc1cccc(Cl)c1F.O=CC(F)(F)F.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;1-[2-[(3-aminocyclobutyl)methyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one;tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(3-methylcyclobutyl)methyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methylcyclobutyl)methylamino]acetamide;hydride;methane;oxido formate;2,2,2-trifluoroacetaldehyde?

The InChIKey is ZPUHPLPSAQDZHX-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H27ClFN5O3.C24H26ClFN6O3.C15H20ClFN2O.C10H9BrClFO.C10H9N3O3.C10H20N2O2.C2HF3O.CH2O3.2CH4.2K.H/c1-15-9-16(10-15)12-31(13-21(33)29-11-17-5-4-7-19(26)23(17)27)22(34)14-32-20-8-3-2-6-18(20)24(30-32)25(28)35;25-18-6-3-4-15(22(18)26)10-29-20(33)12-31(11-14-8-16(27)9-14)21(34)13-32-19-7-2-1-5-17(19)23(30-32)24(28)35;1-10-5-11(6-10)7-18-9-14(20)19-8-12-3-2-4-13(16)15(12)17;11-6-8(14)5-4-7-2-1-3-9(12)10(7)13;11-10(16)9-6-3-1-2-4-7(6)13(12-9)5-8(14)15;1-10(2,3)14-9(13)12-8-4-7(5-8)6-11;3-2(4,5)1-6;2-1-4-3;;;;;/h2-8,15-16H,9-14H2,1H3,(H2,28,35)(H,29,33);1-7,14,16H,8-13,27H2,(H2,28,35)(H,29,33);2-4,10-11,18H,5-9H2,1H3,(H,19,20);1-3H,4-6H2;1-4H,5H2,(H2,11,16)(H,14,15);7-8H,4-6,11H2,1-3H3,(H,12,13);1H;1,3H;2*1H4;;;/q;;;;;;;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;1-[2-[(3-aminocyclobutyl)methyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one;tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(3-methylcyclobutyl)methyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methylcyclobutyl)methylamino]acetamide;hydride;methane;oxido formate;2,2,2-trifluoroacetaldehyde?

dipotassium;1-[2-[(3-aminocyclobutyl)methyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one;tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(3-methylcyclobutyl)methyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methylcyclobutyl)methylamino]acetamide;hydride;methane;oxido formate;2,2,2-trifluoroacetaldehyde has a molecular weight of 2269.07 g/mol, XLogP of 7.08, 34 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;1-[2-[(3-aminocyclobutyl)methyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one;tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(3-methylcyclobutyl)methyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methylcyclobutyl)methylamino]acetamide;hydride;methane;oxido formate;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 158864011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).