dipotassium;2-(3-acetylindazol-1-yl)acetic acid;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetylindazol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;1-(1H-indazol-3-yl)ethanone;oxido formate

C77H89BrCl2F2K2N12O16 — CID 159282358

About dipotassium;2-(3-acetylindazol-1-yl)acetic acid;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetylindazol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;1-(1H-indazol-3-yl)ethanone;oxido formate

dipotassium;2-(3-acetylindazol-1-yl)acetic acid;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetylindazol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;1-(1H-indazol-3-yl)ethanone;oxido formate (PubChem CID 159282358) has the molecular formula C77H89BrCl2F2K2N12O16 and a molecular weight of 1705.63 g/mol. Its IUPAC name is dipotassium;2-(3-acetylindazol-1-yl)acetic acid;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetylindazol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;1-(1H-indazol-3-yl)ethanone;oxido formate.

Molecular Properties

• Compound Name: dipotassium;2-(3-acetylindazol-1-yl)acetic acid;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetylindazol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;1-(1H-indazol-3-yl)ethanone;oxido formate
• PubChem CID: 159282358
• Molecular Formula: C77H89BrCl2F2K2N12O16
• Molecular Weight: 1705.63 g/mol
• Exact Mass: 1702.43
• IUPAC Name: dipotassium;2-(3-acetylindazol-1-yl)acetic acid;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetylindazol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;1-(1H-indazol-3-yl)ethanone;oxido formate
• SMILES: CC(=O)c1n[nH]c2ccccc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccccc12.CC(=O)c1nn(CC(=O)O)c2ccccc12.CC(=O)c1nn(CC(=O)OC(C)(C)C)c2ccccc12.CC(C)(C)OC(=O)CBr.CC(C)NCC(=O)NCc1cccc(Cl)c1F.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C23H24ClFN4O3.C15H18N2O3.C12H16ClFN2O.C11H10N2O3.C9H8N2O.C6H11BrO2.CH2O3.2K.H/c1-14(2)28(12-20(31)26-11-16-7-6-9-18(24)22(16)25)21(32)13-29-19-10-5-4-8-17(19)23(27-29)15(3)30;1-10(18)14-11-7-5-6-8-12(11)17(16-14)9-13(19)20-15(2,3)4;1-8(2)15-7-11(17)16-6-9-4-3-5-10(13)12(9)14;1-7(14)11-8-4-2-3-5-9(8)13(12-11)6-10(15)16;1-6(12)9-7-4-2-3-5-8(7)10-11-9;1-6(2,3)9-5(8)4-7;2-1-4-3;;;/h4-10,14H,11-13H2,1-3H3,(H,26,31);5-8H,9H2,1-4H3;3-5,8,15H,6-7H2,1-2H3,(H,16,17);2-5H,6H2,1H3,(H,15,16);2-5H,1H3,(H,10,11);4H2,1-3H3;1,3H;;;/q;;;;;;;2*+1;-1/p-1
• InChIKey: OLIVJTJBOADSPZ-UHFFFAOYSA-M
• XLogP: 5.63
• TPSA: 380.22 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 22
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1705.63
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

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)acetic acid;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetylindazol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;1-(1H-indazol-3-yl)ethanone;oxido formate?

The IUPAC name of dipotassium;2-(3-acetylindazol-1-yl)acetic acid;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetylindazol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;1-(1H-indazol-3-yl)ethanone;oxido formate (CID 159282358) is dipotassium;2-(3-acetylindazol-1-yl)acetic acid;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetylindazol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;1-(1H-indazol-3-yl)ethanone;oxido formate.

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

The canonical SMILES for dipotassium;2-(3-acetylindazol-1-yl)acetic acid;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetylindazol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;1-(1H-indazol-3-yl)ethanone;oxido formate is CC(=O)c1n[nH]c2ccccc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccccc12.CC(=O)c1nn(CC(=O)O)c2ccccc12.CC(=O)c1nn(CC(=O)OC(C)(C)C)c2ccccc12.CC(C)(C)OC(=O)CBr.CC(C)NCC(=O)NCc1cccc(Cl)c1F.O=CO[O-].[H-].[K+].[K+].

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

The InChIKey is OLIVJTJBOADSPZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H24ClFN4O3.C15H18N2O3.C12H16ClFN2O.C11H10N2O3.C9H8N2O.C6H11BrO2.CH2O3.2K.H/c1-14(2)28(12-20(31)26-11-16-7-6-9-18(24)22(16)25)21(32)13-29-19-10-5-4-8-17(19)23(27-29)15(3)30;1-10(18)14-11-7-5-6-8-12(11)17(16-14)9-13(19)20-15(2,3)4;1-8(2)15-7-11(17)16-6-9-4-3-5-10(13)12(9)14;1-7(14)11-8-4-2-3-5-9(8)13(12-11)6-10(15)16;1-6(12)9-7-4-2-3-5-8(7)10-11-9;1-6(2,3)9-5(8)4-7;2-1-4-3;;;/h4-10,14H,11-13H2,1-3H3,(H,26,31);5-8H,9H2,1-4H3;3-5,8,15H,6-7H2,1-2H3,(H,16,17);2-5H,6H2,1H3,(H,15,16);2-5H,1H3,(H,10,11);4H2,1-3H3;1,3H;;;/q;;;;;;;2*+1;-1/p-1.

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

dipotassium;2-(3-acetylindazol-1-yl)acetic acid;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetylindazol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;1-(1H-indazol-3-yl)ethanone;oxido formate has a molecular weight of 1705.63 g/mol, XLogP of 5.63, 22 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;2-(3-acetylindazol-1-yl)acetic acid;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetylindazol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;1-(1H-indazol-3-yl)ethanone;oxido formate is sourced from PubChem (CID 159282358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).