lithium;dipotassium;5-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;2-(3-carbamoyl-5-nitroindazol-1-yl)acetic acid;4-(3-chloro-2-fluorophenyl)-1-(cyclopropylamino)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-nitroindazole-3-carboxamide;ethyl 2-bromoacetate;hydride;methane;6-nitro-3H-isoindole-1-carboxamide;5-nitro-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;hydroxide

C93H96BrCl3F3K2LiN24O27 — CID 157214353

IUPAClithium;dipotassium;5-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;2-(3-carbamoyl-5-nitroindazol-1-yl)acetic acid;4-(3-chloro-2-fluorophenyl)-1-(cyclopropylamino)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-nitroindazole-3-carboxamide;ethyl 2-bromoacetate;hydride;methane;6-nitro-3H-isoindole-1-carboxamide;5-nitro-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;hydroxide
SMILESC.CC(=O)Cn1nc(C(N)=O)c2cc([N+](=O)[O-])ccc21.CCOC(=O)CBr.NC(=O)C1=NCc2ccc([N+](=O)[O-])cc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(N)cc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc([N+](=O)[O-])cc12.NC(=O)c1nn(CC(=O)O)c2ccc([N+](=O)[O-])cc12.O=C(CCc1cccc(Cl)c1F)CNC1CC1.O=CO[O-].[H-].[K+].[K+].[Li+].[OH-]
InChIInChI=1S/C22H20ClFN6O5.C22H22ClFN6O3.C13H15ClFNO.C11H10N4O4.C10H8N4O5.C9H7N3O3.C4H7BrO2.CH2O3.CH4.2K.Li.H2O.H/c23-16-3-1-2-12(20(16)24)9-26-18(31)10-28(13-4-5-13)19(32)11-29-17-7-6-14(30(34)35)8-15(17)21(27-29)22(25)33;23-16-3-1-2-12(20(16)24)9-27-18(31)10-29(14-5-6-14)19(32)11-30-17-7-4-13(25)8-15(17)21(28-30)22(26)33;14-12-3-1-2-9(13(12)15)4-7-11(17)8-16-10-5-6-10;1-6(16)5-14-9-3-2-7(15(18)19)4-8(9)10(13-14)11(12)17;11-10(17)9-6-3-5(14(18)19)1-2-7(6)13(12-9)4-8(15)16;10-9(13)8-7-3-6(12(14)15)2-1-5(7)4-11-8;1-2-7-4(6)3-5;2-1-4-3;;;;;;/h1-3,6-8,13H,4-5,9-11H2,(H2,25,33)(H,26,31);1-4,7-8,14H,5-6,9-11,25H2,(H2,26,33)(H,27,31);1-3,10,16H,4-8H2;2-4H,5H2,1H3,(H2,12,17);1-3H,4H2,(H2,11,17)(H,15,16);1-3H,4H2,(H2,10,13);2-3H2,1H3;1,3H;1H4;;;;1H2;/q;;;;;;;;;3*+1;;-1/p-2
InChIKeyBSIHBZIMFVUYIO-UHFFFAOYSA-L
MW2310.33 g/mol
LogP-1.20
Rot. Bonds36

About lithium;dipotassium;5-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;2-(3-carbamoyl-5-nitroindazol-1-yl)acetic acid;4-(3-chloro-2-fluorophenyl)-1-(cyclopropylamino)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-nitroindazole-3-carboxamide;ethyl 2-bromoacetate;hydride;methane;6-nitro-3H-isoindole-1-carboxamide;5-nitro-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;hydroxide

lithium;dipotassium;5-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;2-(3-carbamoyl-5-nitroindazol-1-yl)acetic acid;4-(3-chloro-2-fluorophenyl)-1-(cyclopropylamino)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-nitroindazole-3-carboxamide;ethyl 2-bromoacetate;hydride;methane;6-nitro-3H-isoindole-1-carboxamide;5-nitro-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;hydroxide (PubChem CID 157214353) has the molecular formula C93H96BrCl3F3K2LiN24O27 and a molecular weight of 2310.33 g/mol. Its IUPAC name is lithium;dipotassium;5-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;2-(3-carbamoyl-5-nitroindazol-1-yl)acetic acid;4-(3-chloro-2-fluorophenyl)-1-(cyclopropylamino)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-nitroindazole-3-carboxamide;ethyl 2-bromoacetate;hydride;methane;6-nitro-3H-isoindole-1-carboxamide;5-nitro-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;hydroxide.

Molecular Properties

Compound Namelithium;dipotassium;5-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;2-(3-carbamoyl-5-nitroindazol-1-yl)acetic acid;4-(3-chloro-2-fluorophenyl)-1-(cyclopropylamino)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-nitroindazole-3-carboxamide;ethyl 2-bromoacetate;hydride;methane;6-nitro-3H-isoindole-1-carboxamide;5-nitro-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;hydroxide
PubChem CID157214353
Molecular FormulaC93H96BrCl3F3K2LiN24O27
Molecular Weight2310.33 g/mol
Exact Mass2306.45
IUPAC Namelithium;dipotassium;5-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;2-(3-carbamoyl-5-nitroindazol-1-yl)acetic acid;4-(3-chloro-2-fluorophenyl)-1-(cyclopropylamino)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-nitroindazole-3-carboxamide;ethyl 2-bromoacetate;hydride;methane;6-nitro-3H-isoindole-1-carboxamide;5-nitro-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;hydroxide
SMILESC.CC(=O)Cn1nc(C(N)=O)c2cc([N+](=O)[O-])ccc21.CCOC(=O)CBr.NC(=O)C1=NCc2ccc([N+](=O)[O-])cc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(N)cc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc([N+](=O)[O-])cc12.NC(=O)c1nn(CC(=O)O)c2ccc([N+](=O)[O-])cc12.O=C(CCc1cccc(Cl)c1F)CNC1CC1.O=CO[O-].[H-].[K+].[K+].[Li+].[OH-]
InChIInChI=1S/C22H20ClFN6O5.C22H22ClFN6O3.C13H15ClFNO.C11H10N4O4.C10H8N4O5.C9H7N3O3.C4H7BrO2.CH2O3.CH4.2K.Li.H2O.H/c23-16-3-1-2-12(20(16)24)9-26-18(31)10-28(13-4-5-13)19(32)11-29-17-7-6-14(30(34)35)8-15(17)21(27-29)22(25)33;23-16-3-1-2-12(20(16)24)9-27-18(31)10-29(14-5-6-14)19(32)11-30-17-7-4-13(25)8-15(17)21(28-30)22(26)33;14-12-3-1-2-9(13(12)15)4-7-11(17)8-16-10-5-6-10;1-6(16)5-14-9-3-2-7(15(18)19)4-8(9)10(13-14)11(12)17;11-10(17)9-6-3-5(14(18)19)1-2-7(6)13(12-9)4-8(15)16;10-9(13)8-7-3-6(12(14)15)2-1-5(7)4-11-8;1-2-7-4(6)3-5;2-1-4-3;;;;;;/h1-3,6-8,13H,4-5,9-11H2,(H2,25,33)(H,26,31);1-4,7-8,14H,5-6,9-11,25H2,(H2,26,33)(H,27,31);1-3,10,16H,4-8H2;2-4H,5H2,1H3,(H2,12,17);1-3H,4H2,(H2,11,17)(H,15,16);1-3H,4H2,(H2,10,13);2-3H2,1H3;1,3H;1H4;;;;1H2;/q;;;;;;;;;3*+1;;-1/p-2
InChIKeyBSIHBZIMFVUYIO-UHFFFAOYSA-L
XLogP-1.20
TPSA785.62 Ų
H-Bond Donors10
H-Bond Acceptors37
Rotatable Bonds36
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002310.33
LogP ≤ 5-1.20
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze lithium;dipotassium;5-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;2-(3-carbamoyl-5-nitroindazol-1-yl)acetic acid;4-(3-chloro-2-fluorophenyl)-1-(cyclopropylamino)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-nitroindazole-3-carboxamide;ethyl 2-bromoacetate;hydride;methane;6-nitro-3H-isoindole-1-carboxamide;5-nitro-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;hydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;dipotassium;5-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;2-(3-carbamoyl-5-nitroindazol-1-yl)acetic acid;4-(3-chloro-2-fluorophenyl)-1-(cyclopropylamino)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-nitroindazole-3-carboxamide;ethyl 2-bromoacetate;hydride;methane;6-nitro-3H-isoindole-1-carboxamide;5-nitro-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;hydroxide?
The IUPAC name of lithium;dipotassium;5-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;2-(3-carbamoyl-5-nitroindazol-1-yl)acetic acid;4-(3-chloro-2-fluorophenyl)-1-(cyclopropylamino)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-nitroindazole-3-carboxamide;ethyl 2-bromoacetate;hydride;methane;6-nitro-3H-isoindole-1-carboxamide;5-nitro-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;hydroxide (CID 157214353) is lithium;dipotassium;5-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;2-(3-carbamoyl-5-nitroindazol-1-yl)acetic acid;4-(3-chloro-2-fluorophenyl)-1-(cyclopropylamino)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-nitroindazole-3-carboxamide;ethyl 2-bromoacetate;hydride;methane;6-nitro-3H-isoindole-1-carboxamide;5-nitro-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;hydroxide.
What is the SMILES notation for lithium;dipotassium;5-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;2-(3-carbamoyl-5-nitroindazol-1-yl)acetic acid;4-(3-chloro-2-fluorophenyl)-1-(cyclopropylamino)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-nitroindazole-3-carboxamide;ethyl 2-bromoacetate;hydride;methane;6-nitro-3H-isoindole-1-carboxamide;5-nitro-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;hydroxide?
The canonical SMILES for lithium;dipotassium;5-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;2-(3-carbamoyl-5-nitroindazol-1-yl)acetic acid;4-(3-chloro-2-fluorophenyl)-1-(cyclopropylamino)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-nitroindazole-3-carboxamide;ethyl 2-bromoacetate;hydride;methane;6-nitro-3H-isoindole-1-carboxamide;5-nitro-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;hydroxide is C.CC(=O)Cn1nc(C(N)=O)c2cc([N+](=O)[O-])ccc21.CCOC(=O)CBr.NC(=O)C1=NCc2ccc([N+](=O)[O-])cc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(N)cc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc([N+](=O)[O-])cc12.NC(=O)c1nn(CC(=O)O)c2ccc([N+](=O)[O-])cc12.O=C(CCc1cccc(Cl)c1F)CNC1CC1.O=CO[O-].[H-].[K+].[K+].[Li+].[OH-].
What is the InChIKey of lithium;dipotassium;5-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;2-(3-carbamoyl-5-nitroindazol-1-yl)acetic acid;4-(3-chloro-2-fluorophenyl)-1-(cyclopropylamino)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-nitroindazole-3-carboxamide;ethyl 2-bromoacetate;hydride;methane;6-nitro-3H-isoindole-1-carboxamide;5-nitro-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;hydroxide?
The InChIKey is BSIHBZIMFVUYIO-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H20ClFN6O5.C22H22ClFN6O3.C13H15ClFNO.C11H10N4O4.C10H8N4O5.C9H7N3O3.C4H7BrO2.CH2O3.CH4.2K.Li.H2O.H/c23-16-3-1-2-12(20(16)24)9-26-18(31)10-28(13-4-5-13)19(32)11-29-17-7-6-14(30(34)35)8-15(17)21(27-29)22(25)33;23-16-3-1-2-12(20(16)24)9-27-18(31)10-29(14-5-6-14)19(32)11-30-17-7-4-13(25)8-15(17)21(28-30)22(26)33;14-12-3-1-2-9(13(12)15)4-7-11(17)8-16-10-5-6-10;1-6(16)5-14-9-3-2-7(15(18)19)4-8(9)10(13-14)11(12)17;11-10(17)9-6-3-5(14(18)19)1-2-7(6)13(12-9)4-8(15)16;10-9(13)8-7-3-6(12(14)15)2-1-5(7)4-11-8;1-2-7-4(6)3-5;2-1-4-3;;;;;;/h1-3,6-8,13H,4-5,9-11H2,(H2,25,33)(H,26,31);1-4,7-8,14H,5-6,9-11,25H2,(H2,26,33)(H,27,31);1-3,10,16H,4-8H2;2-4H,5H2,1H3,(H2,12,17);1-3H,4H2,(H2,11,17)(H,15,16);1-3H,4H2,(H2,10,13);2-3H2,1H3;1,3H;1H4;;;;1H2;/q;;;;;;;;;3*+1;;-1/p-2.
What are the key properties of lithium;dipotassium;5-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;2-(3-carbamoyl-5-nitroindazol-1-yl)acetic acid;4-(3-chloro-2-fluorophenyl)-1-(cyclopropylamino)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-nitroindazole-3-carboxamide;ethyl 2-bromoacetate;hydride;methane;6-nitro-3H-isoindole-1-carboxamide;5-nitro-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;hydroxide?
lithium;dipotassium;5-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;2-(3-carbamoyl-5-nitroindazol-1-yl)acetic acid;4-(3-chloro-2-fluorophenyl)-1-(cyclopropylamino)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-nitroindazole-3-carboxamide;ethyl 2-bromoacetate;hydride;methane;6-nitro-3H-isoindole-1-carboxamide;5-nitro-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;hydroxide has a molecular weight of 2310.33 g/mol, XLogP of -1.20, 36 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;dipotassium;5-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;2-(3-carbamoyl-5-nitroindazol-1-yl)acetic acid;4-(3-chloro-2-fluorophenyl)-1-(cyclopropylamino)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-nitroindazole-3-carboxamide;ethyl 2-bromoacetate;hydride;methane;6-nitro-3H-isoindole-1-carboxamide;5-nitro-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;hydroxide is sourced from PubChem (CID 157214353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).