(2S)-2-amino-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(2S)-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]azetidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxy-2-thiophen-2-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-piperazin-1-ylacetamide

C104H88F12N20O6S2 — CID 158908503

IUPAC(2S)-2-amino-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(2S)-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]azetidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxy-2-thiophen-2-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-piperazin-1-ylacetamide
SMILESCN1CCC[C@H]1C(=O)Nc1cc2c(/C=C/c3ccc(F)c(F)c3)n[nH]c2cc1F.COC(C(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)c1cccs1.N[C@@H](C(=O)Nc1cc2c(/C=C/c3ccc(F)c(F)c3)n[nH]c2cc1F)c1cccs1.O=C(CN1CCNCC1)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C1CNC1
InChIInChI=1S/C22H17F2N3O2S.C21H15F3N4OS.C21H19F3N4O.C21H21F2N5O.C19H16F2N4O/c1-29-21(20-3-2-10-30-20)22(28)25-19-11-15-17(26-27-18(15)12-16(19)24)9-6-13-4-7-14(23)8-5-13;22-13-5-3-11(8-14(13)23)4-6-16-12-9-18(15(24)10-17(12)28-27-16)26-21(29)20(25)19-2-1-7-30-19;1-28-8-2-3-20(28)21(29)25-19-10-13-17(26-27-18(13)11-16(19)24)7-5-12-4-6-14(22)15(23)9-12;22-15-4-1-14(2-5-15)3-6-18-16-11-20(17(23)12-19(16)27-26-18)25-21(29)13-28-9-7-24-8-10-28;20-13-4-1-11(2-5-13)3-6-16-14-7-18(15(21)8-17(14)25-24-16)23-19(26)12-9-22-10-12/h2-12,21H,1H3,(H,25,28)(H,26,27);1-10,20H,25H2,(H,26,29)(H,27,28);4-7,9-11,20H,2-3,8H2,1H3,(H,25,29)(H,26,27);1-6,11-12,24H,7-10,13H2,(H,25,29)(H,26,27);1-8,12,22H,9-10H2,(H,23,26)(H,24,25)/b9-6+;6-4+;7-5+;2*6-3+/t;2*20-;;/m.10../s1
InChIKeyJGISZEQFSQQXAY-ZILKCWKDSA-N
MW2006.09 g/mol
LogP20.46
Rot. Bonds24

About (2S)-2-amino-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(2S)-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]azetidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxy-2-thiophen-2-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-piperazin-1-ylacetamide

(2S)-2-amino-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(2S)-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]azetidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxy-2-thiophen-2-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-piperazin-1-ylacetamide (PubChem CID 158908503) has the molecular formula C104H88F12N20O6S2 and a molecular weight of 2006.09 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(2S)-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]azetidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxy-2-thiophen-2-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-piperazin-1-ylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(2S)-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]azetidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxy-2-thiophen-2-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-piperazin-1-ylacetamide
PubChem CID158908503
Molecular FormulaC104H88F12N20O6S2
Molecular Weight2006.09 g/mol
Exact Mass2004.64
IUPAC Name(2S)-2-amino-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(2S)-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]azetidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxy-2-thiophen-2-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-piperazin-1-ylacetamide
SMILESCN1CCC[C@H]1C(=O)Nc1cc2c(/C=C/c3ccc(F)c(F)c3)n[nH]c2cc1F.COC(C(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)c1cccs1.N[C@@H](C(=O)Nc1cc2c(/C=C/c3ccc(F)c(F)c3)n[nH]c2cc1F)c1cccs1.O=C(CN1CCNCC1)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C1CNC1
InChIInChI=1S/C22H17F2N3O2S.C21H15F3N4OS.C21H19F3N4O.C21H21F2N5O.C19H16F2N4O/c1-29-21(20-3-2-10-30-20)22(28)25-19-11-15-17(26-27-18(15)12-16(19)24)9-6-13-4-7-14(23)8-5-13;22-13-5-3-11(8-14(13)23)4-6-16-12-9-18(15(24)10-17(12)28-27-16)26-21(29)20(25)19-2-1-7-30-19;1-28-8-2-3-20(28)21(29)25-19-10-13-17(26-27-18(13)11-16(19)24)7-5-12-4-6-14(22)15(23)9-12;22-15-4-1-14(2-5-15)3-6-18-16-11-20(17(23)12-19(16)27-26-18)25-21(29)13-28-9-7-24-8-10-28;20-13-4-1-11(2-5-13)3-6-16-14-7-18(15(21)8-17(14)25-24-16)23-19(26)12-9-22-10-12/h2-12,21H,1H3,(H,25,28)(H,26,27);1-10,20H,25H2,(H,26,29)(H,27,28);4-7,9-11,20H,2-3,8H2,1H3,(H,25,29)(H,26,27);1-6,11-12,24H,7-10,13H2,(H,25,29)(H,26,27);1-8,12,22H,9-10H2,(H,23,26)(H,24,25)/b9-6+;6-4+;7-5+;2*6-3+/t;2*20-;;/m.10../s1
InChIKeyJGISZEQFSQQXAY-ZILKCWKDSA-N
XLogP20.46
TPSA354.69 Ų
H-Bond Donors13
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002006.09
LogP ≤ 520.46
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1018

Analyze (2S)-2-amino-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(2S)-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]azetidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxy-2-thiophen-2-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-piperazin-1-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-amine;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;(2S)-N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 157721259
1-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopentane-1-carboxamide;bis(N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]oxolane-2-carboxamide);(2R)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]pyrrolidine-2-carboxamide;(4R)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1,3-thiazolidine-4-carboxamide
CID 158047373
(2S)-2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-3-carboxamide
CID 158159548
N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]oxolane-2-carboxamide;N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]oxolane-3-carboxamide;(2S)-N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;(2R)-N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]-2-thiophen-3-ylacetamide
CID 158656402
(2S)-2-amino-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(2S)-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]piperidine-4-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxy-2-thiophen-2-ylacetamide
CID 159440787
1-acetyl-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]piperidine-4-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]oxolane-3-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 160222869
1-acetyl-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]piperidine-4-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]oxolane-3-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 160351977
(2S)-2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide
CID 160654299
(2S)-2-amino-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(2S)-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]azetidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxy-2-thiophen-2-ylacetamide
CID 161654531
(2S)-2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]oxolane-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]oxolane-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 161885026

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(2S)-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]azetidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxy-2-thiophen-2-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-piperazin-1-ylacetamide?
The IUPAC name of (2S)-2-amino-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(2S)-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]azetidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxy-2-thiophen-2-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-piperazin-1-ylacetamide (CID 158908503) is (2S)-2-amino-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(2S)-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]azetidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxy-2-thiophen-2-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-piperazin-1-ylacetamide.
What is the SMILES notation for (2S)-2-amino-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(2S)-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]azetidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxy-2-thiophen-2-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-piperazin-1-ylacetamide?
The canonical SMILES for (2S)-2-amino-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(2S)-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]azetidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxy-2-thiophen-2-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-piperazin-1-ylacetamide is CN1CCC[C@H]1C(=O)Nc1cc2c(/C=C/c3ccc(F)c(F)c3)n[nH]c2cc1F.COC(C(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)c1cccs1.N[C@@H](C(=O)Nc1cc2c(/C=C/c3ccc(F)c(F)c3)n[nH]c2cc1F)c1cccs1.O=C(CN1CCNCC1)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C1CNC1.
What is the InChIKey of (2S)-2-amino-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(2S)-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]azetidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxy-2-thiophen-2-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-piperazin-1-ylacetamide?
The InChIKey is JGISZEQFSQQXAY-ZILKCWKDSA-N. The full InChI is InChI=1S/C22H17F2N3O2S.C21H15F3N4OS.C21H19F3N4O.C21H21F2N5O.C19H16F2N4O/c1-29-21(20-3-2-10-30-20)22(28)25-19-11-15-17(26-27-18(15)12-16(19)24)9-6-13-4-7-14(23)8-5-13;22-13-5-3-11(8-14(13)23)4-6-16-12-9-18(15(24)10-17(12)28-27-16)26-21(29)20(25)19-2-1-7-30-19;1-28-8-2-3-20(28)21(29)25-19-10-13-17(26-27-18(13)11-16(19)24)7-5-12-4-6-14(22)15(23)9-12;22-15-4-1-14(2-5-15)3-6-18-16-11-20(17(23)12-19(16)27-26-18)25-21(29)13-28-9-7-24-8-10-28;20-13-4-1-11(2-5-13)3-6-16-14-7-18(15(21)8-17(14)25-24-16)23-19(26)12-9-22-10-12/h2-12,21H,1H3,(H,25,28)(H,26,27);1-10,20H,25H2,(H,26,29)(H,27,28);4-7,9-11,20H,2-3,8H2,1H3,(H,25,29)(H,26,27);1-6,11-12,24H,7-10,13H2,(H,25,29)(H,26,27);1-8,12,22H,9-10H2,(H,23,26)(H,24,25)/b9-6+;6-4+;7-5+;2*6-3+/t;2*20-;;/m.10../s1.
What are the key properties of (2S)-2-amino-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(2S)-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]azetidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxy-2-thiophen-2-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-piperazin-1-ylacetamide?
(2S)-2-amino-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(2S)-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]azetidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxy-2-thiophen-2-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-piperazin-1-ylacetamide has a molecular weight of 2006.09 g/mol, XLogP of 20.46, 24 rotatable bonds, 13 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(2S)-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]azetidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxy-2-thiophen-2-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-piperazin-1-ylacetamide is sourced from PubChem (CID 158908503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).