2-(1,3-benzodioxol-5-yl)-N-[3-[2-(trifluoromethyl)phenyl]-1H-indazol-5-yl]acetamide;N-[3-(2,4-dimethoxypyrimidin-5-yl)-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(3S)-3-hydroxy-3-phenyl-N-[3-(1H-pyrrol-2-yl)-1H-indazol-5-yl]propanamide;2-methoxy-N-(3-thiophen-3-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)methanesulfonamide

C113H94F3N21O13S3 — CID 158160239

IUPAC2-(1,3-benzodioxol-5-yl)-N-[3-[2-(trifluoromethyl)phenyl]-1H-indazol-5-yl]acetamide;N-[3-(2,4-dimethoxypyrimidin-5-yl)-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(3S)-3-hydroxy-3-phenyl-N-[3-(1H-pyrrol-2-yl)-1H-indazol-5-yl]propanamide;2-methoxy-N-(3-thiophen-3-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)methanesulfonamide
SMILESCC(=O)Nc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1.COCC(=O)Nc1ccc2[nH]nc(-c3ccsc3)c2c1.COc1ncc(-c2n[nH]c3ccc(NC(=O)Cc4cccs4)cc23)c(OC)n1.CS(=O)(=O)Nc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1.O=C(C[C@H](O)c1ccccc1)Nc1ccc2[nH]nc(-c3ccc[nH]3)c2c1.O=C(Cc1ccc2c(c1)OCO2)Nc1ccc2[nH]nc(-c3ccccc3C(F)(F)F)c2c1
InChIInChI=1S/C23H16F3N3O3.C20H18N4O2.C19H17N5O3S.C19H15N3O.C18H15N3O2S.C14H13N3O2S/c24-23(25,26)17-4-2-1-3-15(17)22-16-11-14(6-7-18(16)28-29-22)27-21(30)10-13-5-8-19-20(9-13)32-12-31-19;25-18(13-5-2-1-3-6-13)12-19(26)22-14-8-9-16-15(11-14)20(24-23-16)17-7-4-10-21-17;1-26-18-14(10-20-19(22-18)27-2)17-13-8-11(5-6-15(13)23-24-17)21-16(25)9-12-4-3-7-28-12;1-12(23)20-16-8-9-18-17(11-16)19(22-21-18)15-7-6-13-4-2-3-5-14(13)10-15;1-24(22,23)21-15-8-9-17-16(11-15)18(20-19-17)14-7-6-12-4-2-3-5-13(12)10-14;1-19-7-13(18)15-10-2-3-12-11(6-10)14(17-16-12)9-4-5-20-8-9/h1-9,11H,10,12H2,(H,27,30)(H,28,29);1-11,18,21,25H,12H2,(H,22,26)(H,23,24);3-8,10H,9H2,1-2H3,(H,21,25)(H,23,24);2-11H,1H3,(H,20,23)(H,21,22);2-11,21H,1H3,(H,19,20);2-6,8H,7H2,1H3,(H,15,18)(H,16,17)/t;18-;;;;/m.0..../s1
InChIKeyFWEGOIOBYYZPFN-ZOBNKJNKSA-N
MW2107.32 g/mol
LogP23.03
Rot. Bonds24

About 2-(1,3-benzodioxol-5-yl)-N-[3-[2-(trifluoromethyl)phenyl]-1H-indazol-5-yl]acetamide;N-[3-(2,4-dimethoxypyrimidin-5-yl)-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(3S)-3-hydroxy-3-phenyl-N-[3-(1H-pyrrol-2-yl)-1H-indazol-5-yl]propanamide;2-methoxy-N-(3-thiophen-3-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)methanesulfonamide

2-(1,3-benzodioxol-5-yl)-N-[3-[2-(trifluoromethyl)phenyl]-1H-indazol-5-yl]acetamide;N-[3-(2,4-dimethoxypyrimidin-5-yl)-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(3S)-3-hydroxy-3-phenyl-N-[3-(1H-pyrrol-2-yl)-1H-indazol-5-yl]propanamide;2-methoxy-N-(3-thiophen-3-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)methanesulfonamide (PubChem CID 158160239) has the molecular formula C113H94F3N21O13S3 and a molecular weight of 2107.32 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-[3-[2-(trifluoromethyl)phenyl]-1H-indazol-5-yl]acetamide;N-[3-(2,4-dimethoxypyrimidin-5-yl)-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(3S)-3-hydroxy-3-phenyl-N-[3-(1H-pyrrol-2-yl)-1H-indazol-5-yl]propanamide;2-methoxy-N-(3-thiophen-3-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)methanesulfonamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-[3-[2-(trifluoromethyl)phenyl]-1H-indazol-5-yl]acetamide;N-[3-(2,4-dimethoxypyrimidin-5-yl)-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(3S)-3-hydroxy-3-phenyl-N-[3-(1H-pyrrol-2-yl)-1H-indazol-5-yl]propanamide;2-methoxy-N-(3-thiophen-3-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)methanesulfonamide
PubChem CID158160239
Molecular FormulaC113H94F3N21O13S3
Molecular Weight2107.32 g/mol
Exact Mass2105.65
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-[3-[2-(trifluoromethyl)phenyl]-1H-indazol-5-yl]acetamide;N-[3-(2,4-dimethoxypyrimidin-5-yl)-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(3S)-3-hydroxy-3-phenyl-N-[3-(1H-pyrrol-2-yl)-1H-indazol-5-yl]propanamide;2-methoxy-N-(3-thiophen-3-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)methanesulfonamide
SMILESCC(=O)Nc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1.COCC(=O)Nc1ccc2[nH]nc(-c3ccsc3)c2c1.COc1ncc(-c2n[nH]c3ccc(NC(=O)Cc4cccs4)cc23)c(OC)n1.CS(=O)(=O)Nc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1.O=C(C[C@H](O)c1ccccc1)Nc1ccc2[nH]nc(-c3ccc[nH]3)c2c1.O=C(Cc1ccc2c(c1)OCO2)Nc1ccc2[nH]nc(-c3ccccc3C(F)(F)F)c2c1
InChIInChI=1S/C23H16F3N3O3.C20H18N4O2.C19H17N5O3S.C19H15N3O.C18H15N3O2S.C14H13N3O2S/c24-23(25,26)17-4-2-1-3-15(17)22-16-11-14(6-7-18(16)28-29-22)27-21(30)10-13-5-8-19-20(9-13)32-12-31-19;25-18(13-5-2-1-3-6-13)12-19(26)22-14-8-9-16-15(11-14)20(24-23-16)17-7-4-10-21-17;1-26-18-14(10-20-19(22-18)27-2)17-13-8-11(5-6-15(13)23-24-17)21-16(25)9-12-4-3-7-28-12;1-12(23)20-16-8-9-18-17(11-16)19(22-21-18)15-7-6-13-4-2-3-5-14(13)10-15;1-24(22,23)21-15-8-9-17-16(11-15)18(20-19-17)14-7-6-12-4-2-3-5-13(12)10-14;1-19-7-13(18)15-10-2-3-12-11(6-10)14(17-16-12)9-4-5-20-8-9/h1-9,11H,10,12H2,(H,27,30)(H,28,29);1-11,18,21,25H,12H2,(H,22,26)(H,23,24);3-8,10H,9H2,1-2H3,(H,21,25)(H,23,24);2-11H,1H3,(H,20,23)(H,21,22);2-11,21H,1H3,(H,19,20);2-6,8H,7H2,1H3,(H,15,18)(H,16,17)/t;18-;;;;/m.0..../s1
InChIKeyFWEGOIOBYYZPFN-ZOBNKJNKSA-N
XLogP23.03
TPSA471.70 Ų
H-Bond Donors14
H-Bond Acceptors23
Rotatable Bonds24
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002107.32
LogP ≤ 523.03
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1023

Analyze 2-(1,3-benzodioxol-5-yl)-N-[3-[2-(trifluoromethyl)phenyl]-1H-indazol-5-yl]acetamide;N-[3-(2,4-dimethoxypyrimidin-5-yl)-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(3S)-3-hydroxy-3-phenyl-N-[3-(1H-pyrrol-2-yl)-1H-indazol-5-yl]propanamide;2-methoxy-N-(3-thiophen-3-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)methanesulfonamide with MolForge

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-[3-[2-(trifluoromethyl)phenyl]-1H-indazol-5-yl]acetamide;N-[3-(furan-2-yl)-1H-indazol-5-yl]-3-hydroxy-2-phenylpropanamide;2-methoxy-N-(3-thiophen-3-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)methanesulfonamide;N-(3-thiophen-2-yl-1H-indazol-5-yl)pyridine-2-carboxamide
CID 161220655

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[3-[2-(trifluoromethyl)phenyl]-1H-indazol-5-yl]acetamide;N-[3-(2,4-dimethoxypyrimidin-5-yl)-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(3S)-3-hydroxy-3-phenyl-N-[3-(1H-pyrrol-2-yl)-1H-indazol-5-yl]propanamide;2-methoxy-N-(3-thiophen-3-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)methanesulfonamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[3-[2-(trifluoromethyl)phenyl]-1H-indazol-5-yl]acetamide;N-[3-(2,4-dimethoxypyrimidin-5-yl)-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(3S)-3-hydroxy-3-phenyl-N-[3-(1H-pyrrol-2-yl)-1H-indazol-5-yl]propanamide;2-methoxy-N-(3-thiophen-3-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)methanesulfonamide (CID 158160239) is 2-(1,3-benzodioxol-5-yl)-N-[3-[2-(trifluoromethyl)phenyl]-1H-indazol-5-yl]acetamide;N-[3-(2,4-dimethoxypyrimidin-5-yl)-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(3S)-3-hydroxy-3-phenyl-N-[3-(1H-pyrrol-2-yl)-1H-indazol-5-yl]propanamide;2-methoxy-N-(3-thiophen-3-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)methanesulfonamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-[3-[2-(trifluoromethyl)phenyl]-1H-indazol-5-yl]acetamide;N-[3-(2,4-dimethoxypyrimidin-5-yl)-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(3S)-3-hydroxy-3-phenyl-N-[3-(1H-pyrrol-2-yl)-1H-indazol-5-yl]propanamide;2-methoxy-N-(3-thiophen-3-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)methanesulfonamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-[3-[2-(trifluoromethyl)phenyl]-1H-indazol-5-yl]acetamide;N-[3-(2,4-dimethoxypyrimidin-5-yl)-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(3S)-3-hydroxy-3-phenyl-N-[3-(1H-pyrrol-2-yl)-1H-indazol-5-yl]propanamide;2-methoxy-N-(3-thiophen-3-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)methanesulfonamide is CC(=O)Nc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1.COCC(=O)Nc1ccc2[nH]nc(-c3ccsc3)c2c1.COc1ncc(-c2n[nH]c3ccc(NC(=O)Cc4cccs4)cc23)c(OC)n1.CS(=O)(=O)Nc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1.O=C(C[C@H](O)c1ccccc1)Nc1ccc2[nH]nc(-c3ccc[nH]3)c2c1.O=C(Cc1ccc2c(c1)OCO2)Nc1ccc2[nH]nc(-c3ccccc3C(F)(F)F)c2c1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-[3-[2-(trifluoromethyl)phenyl]-1H-indazol-5-yl]acetamide;N-[3-(2,4-dimethoxypyrimidin-5-yl)-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(3S)-3-hydroxy-3-phenyl-N-[3-(1H-pyrrol-2-yl)-1H-indazol-5-yl]propanamide;2-methoxy-N-(3-thiophen-3-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)methanesulfonamide?
The InChIKey is FWEGOIOBYYZPFN-ZOBNKJNKSA-N. The full InChI is InChI=1S/C23H16F3N3O3.C20H18N4O2.C19H17N5O3S.C19H15N3O.C18H15N3O2S.C14H13N3O2S/c24-23(25,26)17-4-2-1-3-15(17)22-16-11-14(6-7-18(16)28-29-22)27-21(30)10-13-5-8-19-20(9-13)32-12-31-19;25-18(13-5-2-1-3-6-13)12-19(26)22-14-8-9-16-15(11-14)20(24-23-16)17-7-4-10-21-17;1-26-18-14(10-20-19(22-18)27-2)17-13-8-11(5-6-15(13)23-24-17)21-16(25)9-12-4-3-7-28-12;1-12(23)20-16-8-9-18-17(11-16)19(22-21-18)15-7-6-13-4-2-3-5-14(13)10-15;1-24(22,23)21-15-8-9-17-16(11-15)18(20-19-17)14-7-6-12-4-2-3-5-13(12)10-14;1-19-7-13(18)15-10-2-3-12-11(6-10)14(17-16-12)9-4-5-20-8-9/h1-9,11H,10,12H2,(H,27,30)(H,28,29);1-11,18,21,25H,12H2,(H,22,26)(H,23,24);3-8,10H,9H2,1-2H3,(H,21,25)(H,23,24);2-11H,1H3,(H,20,23)(H,21,22);2-11,21H,1H3,(H,19,20);2-6,8H,7H2,1H3,(H,15,18)(H,16,17)/t;18-;;;;/m.0..../s1.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-[3-[2-(trifluoromethyl)phenyl]-1H-indazol-5-yl]acetamide;N-[3-(2,4-dimethoxypyrimidin-5-yl)-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(3S)-3-hydroxy-3-phenyl-N-[3-(1H-pyrrol-2-yl)-1H-indazol-5-yl]propanamide;2-methoxy-N-(3-thiophen-3-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)methanesulfonamide?
2-(1,3-benzodioxol-5-yl)-N-[3-[2-(trifluoromethyl)phenyl]-1H-indazol-5-yl]acetamide;N-[3-(2,4-dimethoxypyrimidin-5-yl)-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(3S)-3-hydroxy-3-phenyl-N-[3-(1H-pyrrol-2-yl)-1H-indazol-5-yl]propanamide;2-methoxy-N-(3-thiophen-3-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)methanesulfonamide has a molecular weight of 2107.32 g/mol, XLogP of 23.03, 24 rotatable bonds, 14 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-[3-[2-(trifluoromethyl)phenyl]-1H-indazol-5-yl]acetamide;N-[3-(2,4-dimethoxypyrimidin-5-yl)-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(3S)-3-hydroxy-3-phenyl-N-[3-(1H-pyrrol-2-yl)-1H-indazol-5-yl]propanamide;2-methoxy-N-(3-thiophen-3-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)methanesulfonamide is sourced from PubChem (CID 158160239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).