dipotassium;tert-butyl 2-bromoacetate;tert-butyl 2-(3-carbamoylindol-1-yl)acetate;2-(3-carbamoylindol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;1H-indole-3-carboxamide;oxido formate

C76H88BrCl2F2K2N13O16 — CID 162074737

About dipotassium;tert-butyl 2-bromoacetate;tert-butyl 2-(3-carbamoylindol-1-yl)acetate;2-(3-carbamoylindol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;1H-indole-3-carboxamide;oxido formate

dipotassium;tert-butyl 2-bromoacetate;tert-butyl 2-(3-carbamoylindol-1-yl)acetate;2-(3-carbamoylindol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;1H-indole-3-carboxamide;oxido formate (PubChem CID 162074737) has the molecular formula C76H88BrCl2F2K2N13O16 and a molecular weight of 1706.62 g/mol. Its IUPAC name is dipotassium;tert-butyl 2-bromoacetate;tert-butyl 2-(3-carbamoylindol-1-yl)acetate;2-(3-carbamoylindol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;1H-indole-3-carboxamide;oxido formate.

Molecular Properties

• Compound Name: dipotassium;tert-butyl 2-bromoacetate;tert-butyl 2-(3-carbamoylindol-1-yl)acetate;2-(3-carbamoylindol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;1H-indole-3-carboxamide;oxido formate
• PubChem CID: 162074737
• Molecular Formula: C76H88BrCl2F2K2N13O16
• Molecular Weight: 1706.62 g/mol
• Exact Mass: 1703.43
• IUPAC Name: dipotassium;tert-butyl 2-bromoacetate;tert-butyl 2-(3-carbamoylindol-1-yl)acetate;2-(3-carbamoylindol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;1H-indole-3-carboxamide;oxido formate
• SMILES: CC(C)(C)OC(=O)CBr.CC(C)(C)OC(=O)Cn1cc(C(N)=O)c2ccccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CC(C)NCC(=O)NCc1cccc(Cl)c1F.NC(=O)c1c[nH]c2ccccc12.NC(=O)c1cn(CC(=O)O)c2ccccc12.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C22H23ClFN5O3.C15H18N2O3.C12H16ClFN2O.C11H10N2O3.C9H8N2O.C6H11BrO2.CH2O3.2K.H/c1-13(2)28(11-18(30)26-10-14-6-5-8-16(23)20(14)24)19(31)12-29-17-9-4-3-7-15(17)21(27-29)22(25)32;1-15(2,3)20-13(18)9-17-8-11(14(16)19)10-6-4-5-7-12(10)17;1-8(2)15-7-11(17)16-6-9-4-3-5-10(13)12(9)14;12-11(16)8-5-13(6-10(14)15)9-4-2-1-3-7(8)9;10-9(12)7-5-11-8-4-2-1-3-6(7)8;1-6(2,3)9-5(8)4-7;2-1-4-3;;;/h3-9,13H,10-12H2,1-2H3,(H2,25,32)(H,26,30);4-8H,9H2,1-3H3,(H2,16,19);3-5,8,15H,6-7H2,1-2H3,(H,16,17);1-5H,6H2,(H2,12,16)(H,14,15);1-5,11H,(H2,10,12);4H2,1-3H3;1,3H;;;/q;;;;;;;2*+1;-1/p-1
• InChIKey: SFTNYLNEFXFBNF-UHFFFAOYSA-M
• XLogP: 3.03
• TPSA: 445.63 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 20
• Rotatable Bonds: 22
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1706.62
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	20

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;tert-butyl 2-bromoacetate;tert-butyl 2-(3-carbamoylindol-1-yl)acetate;2-(3-carbamoylindol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;1H-indole-3-carboxamide;oxido formate?

The IUPAC name of dipotassium;tert-butyl 2-bromoacetate;tert-butyl 2-(3-carbamoylindol-1-yl)acetate;2-(3-carbamoylindol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;1H-indole-3-carboxamide;oxido formate (CID 162074737) is dipotassium;tert-butyl 2-bromoacetate;tert-butyl 2-(3-carbamoylindol-1-yl)acetate;2-(3-carbamoylindol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;1H-indole-3-carboxamide;oxido formate.

What is the SMILES notation for dipotassium;tert-butyl 2-bromoacetate;tert-butyl 2-(3-carbamoylindol-1-yl)acetate;2-(3-carbamoylindol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;1H-indole-3-carboxamide;oxido formate?

The canonical SMILES for dipotassium;tert-butyl 2-bromoacetate;tert-butyl 2-(3-carbamoylindol-1-yl)acetate;2-(3-carbamoylindol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;1H-indole-3-carboxamide;oxido formate is CC(C)(C)OC(=O)CBr.CC(C)(C)OC(=O)Cn1cc(C(N)=O)c2ccccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CC(C)NCC(=O)NCc1cccc(Cl)c1F.NC(=O)c1c[nH]c2ccccc12.NC(=O)c1cn(CC(=O)O)c2ccccc12.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;tert-butyl 2-bromoacetate;tert-butyl 2-(3-carbamoylindol-1-yl)acetate;2-(3-carbamoylindol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;1H-indole-3-carboxamide;oxido formate?

The InChIKey is SFTNYLNEFXFBNF-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H23ClFN5O3.C15H18N2O3.C12H16ClFN2O.C11H10N2O3.C9H8N2O.C6H11BrO2.CH2O3.2K.H/c1-13(2)28(11-18(30)26-10-14-6-5-8-16(23)20(14)24)19(31)12-29-17-9-4-3-7-15(17)21(27-29)22(25)32;1-15(2,3)20-13(18)9-17-8-11(14(16)19)10-6-4-5-7-12(10)17;1-8(2)15-7-11(17)16-6-9-4-3-5-10(13)12(9)14;12-11(16)8-5-13(6-10(14)15)9-4-2-1-3-7(8)9;10-9(12)7-5-11-8-4-2-1-3-6(7)8;1-6(2,3)9-5(8)4-7;2-1-4-3;;;/h3-9,13H,10-12H2,1-2H3,(H2,25,32)(H,26,30);4-8H,9H2,1-3H3,(H2,16,19);3-5,8,15H,6-7H2,1-2H3,(H,16,17);1-5H,6H2,(H2,12,16)(H,14,15);1-5,11H,(H2,10,12);4H2,1-3H3;1,3H;;;/q;;;;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;tert-butyl 2-bromoacetate;tert-butyl 2-(3-carbamoylindol-1-yl)acetate;2-(3-carbamoylindol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;1H-indole-3-carboxamide;oxido formate?

dipotassium;tert-butyl 2-bromoacetate;tert-butyl 2-(3-carbamoylindol-1-yl)acetate;2-(3-carbamoylindol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;1H-indole-3-carboxamide;oxido formate has a molecular weight of 1706.62 g/mol, XLogP of 3.03, 22 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;tert-butyl 2-bromoacetate;tert-butyl 2-(3-carbamoylindol-1-yl)acetate;2-(3-carbamoylindol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;1H-indole-3-carboxamide;oxido formate is sourced from PubChem (CID 162074737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).