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

C97H115BrCl4F4K2N16O16 — CID 158733829

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

dipotassium;2-(3-acetylindazol-1-yl)-N-[(3-aminocyclobutyl)methyl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]acetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-[(3-methylcyclobutyl)methyl]acetamide;1-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one;tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;2-(3-carbamoylindazol-1-yl)acetic acid;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methylcyclobutyl)methylamino]acetamide;hydride;oxido formate (PubChem CID 158733829) has the molecular formula C97H115BrCl4F4K2N16O16 and a molecular weight of 2136.99 g/mol. Its IUPAC name is dipotassium;2-(3-acetylindazol-1-yl)-N-[(3-aminocyclobutyl)methyl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]acetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-[(3-methylcyclobutyl)methyl]acetamide;1-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one;tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;2-(3-carbamoylindazol-1-yl)acetic acid;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methylcyclobutyl)methylamino]acetamide;hydride;oxido formate.

Molecular Properties

• Compound Name: dipotassium;2-(3-acetylindazol-1-yl)-N-[(3-aminocyclobutyl)methyl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]acetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-[(3-methylcyclobutyl)methyl]acetamide;1-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one;tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;2-(3-carbamoylindazol-1-yl)acetic acid;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methylcyclobutyl)methylamino]acetamide;hydride;oxido formate
• PubChem CID: 158733829
• Molecular Formula: C97H115BrCl4F4K2N16O16
• Molecular Weight: 2136.99 g/mol
• Exact Mass: 2132.58
• IUPAC Name: dipotassium;2-(3-acetylindazol-1-yl)-N-[(3-aminocyclobutyl)methyl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]acetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-[(3-methylcyclobutyl)methyl]acetamide;1-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one;tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;2-(3-carbamoylindazol-1-yl)acetic acid;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methylcyclobutyl)methylamino]acetamide;hydride;oxido formate
• SMILES: CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)CC2CC(C)C2)c2ccccc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)CC2CC(N)C2)c2ccccc12.CC(C)(C)OC(=O)NC1CC(CN)C1.CC1CC(CNCC(=O)NCc2cccc(Cl)c2F)C1.NC(=O)c1nn(CC(=O)O)c2ccccc12.O=C(CBr)CCc1cccc(Cl)c1F.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C26H28ClFN4O3.C25H27ClFN5O3.C15H20ClFN2O.C10H9BrClFO.C10H9N3O3.C10H20N2O2.CH2O3.2K.H/c1-16-10-18(11-16)13-31(14-23(34)29-12-19-6-5-8-21(27)25(19)28)24(35)15-32-22-9-4-3-7-20(22)26(30-32)17(2)33;1-15(33)25-19-6-2-3-8-21(19)32(30-25)14-23(35)31(12-16-9-18(28)10-16)13-22(34)29-11-17-5-4-7-20(26)24(17)27;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;2-1-4-3;;;/h3-9,16,18H,10-15H2,1-2H3,(H,29,34);2-8,16,18H,9-14,28H2,1H3,(H,29,34);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);1,3H;;;/q;;;;;;;2*+1;-1/p-1
• InChIKey: XGMGHQPHBCSACF-UHFFFAOYSA-M
• XLogP: 7.27
• TPSA: 464.74 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 34
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2136.99
LogP ≤ 5	7.27
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	24

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;2-(3-acetylindazol-1-yl)-N-[(3-aminocyclobutyl)methyl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]acetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-[(3-methylcyclobutyl)methyl]acetamide;1-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one;tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;2-(3-carbamoylindazol-1-yl)acetic acid;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methylcyclobutyl)methylamino]acetamide;hydride;oxido formate?

The IUPAC name of dipotassium;2-(3-acetylindazol-1-yl)-N-[(3-aminocyclobutyl)methyl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]acetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-[(3-methylcyclobutyl)methyl]acetamide;1-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one;tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;2-(3-carbamoylindazol-1-yl)acetic acid;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methylcyclobutyl)methylamino]acetamide;hydride;oxido formate (CID 158733829) is dipotassium;2-(3-acetylindazol-1-yl)-N-[(3-aminocyclobutyl)methyl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]acetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-[(3-methylcyclobutyl)methyl]acetamide;1-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one;tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;2-(3-carbamoylindazol-1-yl)acetic acid;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methylcyclobutyl)methylamino]acetamide;hydride;oxido formate.

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

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

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

The InChIKey is XGMGHQPHBCSACF-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H28ClFN4O3.C25H27ClFN5O3.C15H20ClFN2O.C10H9BrClFO.C10H9N3O3.C10H20N2O2.CH2O3.2K.H/c1-16-10-18(11-16)13-31(14-23(34)29-12-19-6-5-8-21(27)25(19)28)24(35)15-32-22-9-4-3-7-20(22)26(30-32)17(2)33;1-15(33)25-19-6-2-3-8-21(19)32(30-25)14-23(35)31(12-16-9-18(28)10-16)13-22(34)29-11-17-5-4-7-20(26)24(17)27;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;2-1-4-3;;;/h3-9,16,18H,10-15H2,1-2H3,(H,29,34);2-8,16,18H,9-14,28H2,1H3,(H,29,34);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);1,3H;;;/q;;;;;;;2*+1;-1/p-1.

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

dipotassium;2-(3-acetylindazol-1-yl)-N-[(3-aminocyclobutyl)methyl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]acetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-[(3-methylcyclobutyl)methyl]acetamide;1-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one;tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;2-(3-carbamoylindazol-1-yl)acetic acid;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methylcyclobutyl)methylamino]acetamide;hydride;oxido formate has a molecular weight of 2136.99 g/mol, XLogP of 7.27, 34 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;2-(3-acetylindazol-1-yl)-N-[(3-aminocyclobutyl)methyl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]acetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-[(3-methylcyclobutyl)methyl]acetamide;1-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one;tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;2-(3-carbamoylindazol-1-yl)acetic acid;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methylcyclobutyl)methylamino]acetamide;hydride;oxido formate is sourced from PubChem (CID 158733829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).