dipotassium;1-[2-[(3-aminocyclobutyl)-[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-aminocyclobutyl)carbamate;tert-butyl N-[3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]cyclobutyl]carbamate;2-(3-carbamoylindazol-1-yl)acetic acid;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methylcyclobutyl)amino]acetamide;hydride;oxido formate

C95H112BrCl4F4K2N19O18 — CID 157354948

About dipotassium;1-[2-[(3-aminocyclobutyl)-[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-aminocyclobutyl)carbamate;tert-butyl N-[3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]cyclobutyl]carbamate;2-(3-carbamoylindazol-1-yl)acetic acid;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methylcyclobutyl)amino]acetamide;hydride;oxido formate

dipotassium;1-[2-[(3-aminocyclobutyl)-[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-aminocyclobutyl)carbamate;tert-butyl N-[3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]cyclobutyl]carbamate;2-(3-carbamoylindazol-1-yl)acetic acid;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methylcyclobutyl)amino]acetamide;hydride;oxido formate (PubChem CID 157354948) has the molecular formula C95H112BrCl4F4K2N19O18 and a molecular weight of 2183.96 g/mol. Its IUPAC name is dipotassium;1-[2-[(3-aminocyclobutyl)-[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-aminocyclobutyl)carbamate;tert-butyl N-[3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]cyclobutyl]carbamate;2-(3-carbamoylindazol-1-yl)acetic acid;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methylcyclobutyl)amino]acetamide;hydride;oxido formate.

Molecular Properties

• Compound Name: dipotassium;1-[2-[(3-aminocyclobutyl)-[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-aminocyclobutyl)carbamate;tert-butyl N-[3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]cyclobutyl]carbamate;2-(3-carbamoylindazol-1-yl)acetic acid;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methylcyclobutyl)amino]acetamide;hydride;oxido formate
• PubChem CID: 157354948
• Molecular Formula: C95H112BrCl4F4K2N19O18
• Molecular Weight: 2183.96 g/mol
• Exact Mass: 2179.56
• IUPAC Name: dipotassium;1-[2-[(3-aminocyclobutyl)-[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-aminocyclobutyl)carbamate;tert-butyl N-[3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]cyclobutyl]carbamate;2-(3-carbamoylindazol-1-yl)acetic acid;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methylcyclobutyl)amino]acetamide;hydride;oxido formate
• SMILES: CC(C)(C)OC(=O)NC1CC(N(CC(=O)NCc2cccc(Cl)c2F)C(=O)Cn2nc(C(N)=O)c3ccccc32)C1.CC(C)(C)OC(=O)NC1CC(N)C1.CC1CC(NCC(=O)NCc2cccc(Cl)c2F)C1.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC(N)C2)c2ccccc12.NC(=O)c1nn(CC(=O)O)c2ccccc12.O=C(CBr)CCc1cccc(Cl)c1F.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C28H32ClFN6O5.C23H24ClFN6O3.C14H18ClFN2O.C10H9BrClFO.C10H9N3O3.C9H18N2O2.CH2O3.2K.H/c1-28(2,3)41-27(40)33-17-11-18(12-17)35(14-22(37)32-13-16-7-6-9-20(29)24(16)30)23(38)15-36-21-10-5-4-8-19(21)25(34-36)26(31)39;24-17-6-3-4-13(21(17)25)10-28-19(32)11-30(15-8-14(26)9-15)20(33)12-31-18-7-2-1-5-16(18)22(29-31)23(27)34;1-9-5-11(6-9)17-8-13(19)18-7-10-3-2-4-12(15)14(10)16;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;1-9(2,3)13-8(12)11-7-4-6(10)5-7;2-1-4-3;;;/h4-10,17-18H,11-15H2,1-3H3,(H2,31,39)(H,32,37)(H,33,40);1-7,14-15H,8-12,26H2,(H2,27,34)(H,28,32);2-4,9,11,17H,5-8H2,1H3,(H,18,19);1-3H,4-6H2;1-4H,5H2,(H2,11,16)(H,14,15);6-7H,4-5,10H2,1-3H3,(H,11,12);1,3H;;;/q;;;;;;;2*+1;-1/p-1
• InChIKey: JMGJJJPUKBORJO-UHFFFAOYSA-M
• XLogP: 4.33
• TPSA: 555.11 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 26
• Rotatable Bonds: 31
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2183.96
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	26

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)-[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-aminocyclobutyl)carbamate;tert-butyl N-[3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]cyclobutyl]carbamate;2-(3-carbamoylindazol-1-yl)acetic acid;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methylcyclobutyl)amino]acetamide;hydride;oxido formate?

The IUPAC name of dipotassium;1-[2-[(3-aminocyclobutyl)-[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-aminocyclobutyl)carbamate;tert-butyl N-[3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]cyclobutyl]carbamate;2-(3-carbamoylindazol-1-yl)acetic acid;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methylcyclobutyl)amino]acetamide;hydride;oxido formate (CID 157354948) is dipotassium;1-[2-[(3-aminocyclobutyl)-[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-aminocyclobutyl)carbamate;tert-butyl N-[3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]cyclobutyl]carbamate;2-(3-carbamoylindazol-1-yl)acetic acid;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methylcyclobutyl)amino]acetamide;hydride;oxido formate.

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

The canonical SMILES for dipotassium;1-[2-[(3-aminocyclobutyl)-[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-aminocyclobutyl)carbamate;tert-butyl N-[3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]cyclobutyl]carbamate;2-(3-carbamoylindazol-1-yl)acetic acid;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methylcyclobutyl)amino]acetamide;hydride;oxido formate is CC(C)(C)OC(=O)NC1CC(N(CC(=O)NCc2cccc(Cl)c2F)C(=O)Cn2nc(C(N)=O)c3ccccc32)C1.CC(C)(C)OC(=O)NC1CC(N)C1.CC1CC(NCC(=O)NCc2cccc(Cl)c2F)C1.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC(N)C2)c2ccccc12.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;1-[2-[(3-aminocyclobutyl)-[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-aminocyclobutyl)carbamate;tert-butyl N-[3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]cyclobutyl]carbamate;2-(3-carbamoylindazol-1-yl)acetic acid;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methylcyclobutyl)amino]acetamide;hydride;oxido formate?

The InChIKey is JMGJJJPUKBORJO-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H32ClFN6O5.C23H24ClFN6O3.C14H18ClFN2O.C10H9BrClFO.C10H9N3O3.C9H18N2O2.CH2O3.2K.H/c1-28(2,3)41-27(40)33-17-11-18(12-17)35(14-22(37)32-13-16-7-6-9-20(29)24(16)30)23(38)15-36-21-10-5-4-8-19(21)25(34-36)26(31)39;24-17-6-3-4-13(21(17)25)10-28-19(32)11-30(15-8-14(26)9-15)20(33)12-31-18-7-2-1-5-16(18)22(29-31)23(27)34;1-9-5-11(6-9)17-8-13(19)18-7-10-3-2-4-12(15)14(10)16;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;1-9(2,3)13-8(12)11-7-4-6(10)5-7;2-1-4-3;;;/h4-10,17-18H,11-15H2,1-3H3,(H2,31,39)(H,32,37)(H,33,40);1-7,14-15H,8-12,26H2,(H2,27,34)(H,28,32);2-4,9,11,17H,5-8H2,1H3,(H,18,19);1-3H,4-6H2;1-4H,5H2,(H2,11,16)(H,14,15);6-7H,4-5,10H2,1-3H3,(H,11,12);1,3H;;;/q;;;;;;;2*+1;-1/p-1.

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

dipotassium;1-[2-[(3-aminocyclobutyl)-[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-aminocyclobutyl)carbamate;tert-butyl N-[3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]cyclobutyl]carbamate;2-(3-carbamoylindazol-1-yl)acetic acid;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methylcyclobutyl)amino]acetamide;hydride;oxido formate has a molecular weight of 2183.96 g/mol, XLogP of 4.33, 31 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;1-[2-[(3-aminocyclobutyl)-[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-aminocyclobutyl)carbamate;tert-butyl N-[3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]cyclobutyl]carbamate;2-(3-carbamoylindazol-1-yl)acetic acid;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methylcyclobutyl)amino]acetamide;hydride;oxido formate is sourced from PubChem (CID 157354948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).