N-[3-(3-acetylphenyl)-1H-indazol-5-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide;(2R)-N-[3-(3,4-dichlorophenyl)-1H-indazol-5-yl]-2-phenylcyclopropane-1-carboxamide;4-(dimethylamino)-N-[3-[4-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]benzamide;N-[3-(3-fluoro-4-phenylphenyl)-1H-indazol-5-yl]-2-oxo-2-phenylacetamide;3-hydroxy-3-methyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]butanamide

C121H96Cl2F4N16O10 — CID 158489812

IUPACN-[3-(3-acetylphenyl)-1H-indazol-5-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide;(2R)-N-[3-(3,4-dichlorophenyl)-1H-indazol-5-yl]-2-phenylcyclopropane-1-carboxamide;4-(dimethylamino)-N-[3-[4-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]benzamide;N-[3-(3-fluoro-4-phenylphenyl)-1H-indazol-5-yl]-2-oxo-2-phenylacetamide;3-hydroxy-3-methyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]butanamide
SMILESCC(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)C4Cc5ccccc54)cc23)c1.CC(C)(O)CC(=O)Nc1ccc2[nH]nc(-c3ccc(Oc4ccccc4)cc3)c2c1.CN(C)c1ccc(C(=O)Nc2ccc3[nH]nc(-c4ccc(OC(F)(F)F)cc4)c3c2)cc1.O=C(Nc1ccc2[nH]nc(-c3ccc(-c4ccccc4)c(F)c3)c2c1)C(=O)c1ccccc1.O=C(Nc1ccc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2c1)C1C[C@H]1c1ccccc1
InChIInChI=1S/C27H18FN3O2.C24H23N3O3.C24H19N3O2.C23H17Cl2N3O.C23H19F3N4O2/c28-23-15-19(11-13-21(23)17-7-3-1-4-8-17)25-22-16-20(12-14-24(22)30-31-25)29-27(33)26(32)18-9-5-2-6-10-18;1-24(2,29)15-22(28)25-17-10-13-21-20(14-17)23(27-26-21)16-8-11-19(12-9-16)30-18-6-4-3-5-7-18;1-14(28)15-6-4-7-17(11-15)23-21-13-18(9-10-22(21)26-27-23)25-24(29)20-12-16-5-2-3-8-19(16)20;24-19-8-6-14(10-20(19)25)22-18-11-15(7-9-21(18)27-28-22)26-23(29)17-12-16(17)13-4-2-1-3-5-13;1-30(2)17-8-3-15(4-9-17)22(31)27-16-7-12-20-19(13-16)21(29-28-20)14-5-10-18(11-6-14)32-23(24,25)26/h1-16H,(H,29,33)(H,30,31);3-14,29H,15H2,1-2H3,(H,25,28)(H,26,27);2-11,13,20H,12H2,1H3,(H,25,29)(H,26,27);1-11,16-17H,12H2,(H,26,29)(H,27,28);3-13H,1-2H3,(H,27,31)(H,28,29)/t;;;16-,17?;/m...0./s1
InChIKeyHIODHAMZIOFANB-XTAFPOISSA-N
MW2081.10 g/mol
LogP27.42
Rot. Bonds24

About N-[3-(3-acetylphenyl)-1H-indazol-5-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide;(2R)-N-[3-(3,4-dichlorophenyl)-1H-indazol-5-yl]-2-phenylcyclopropane-1-carboxamide;4-(dimethylamino)-N-[3-[4-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]benzamide;N-[3-(3-fluoro-4-phenylphenyl)-1H-indazol-5-yl]-2-oxo-2-phenylacetamide;3-hydroxy-3-methyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]butanamide

N-[3-(3-acetylphenyl)-1H-indazol-5-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide;(2R)-N-[3-(3,4-dichlorophenyl)-1H-indazol-5-yl]-2-phenylcyclopropane-1-carboxamide;4-(dimethylamino)-N-[3-[4-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]benzamide;N-[3-(3-fluoro-4-phenylphenyl)-1H-indazol-5-yl]-2-oxo-2-phenylacetamide;3-hydroxy-3-methyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]butanamide (PubChem CID 158489812) has the molecular formula C121H96Cl2F4N16O10 and a molecular weight of 2081.10 g/mol. Its IUPAC name is N-[3-(3-acetylphenyl)-1H-indazol-5-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide;(2R)-N-[3-(3,4-dichlorophenyl)-1H-indazol-5-yl]-2-phenylcyclopropane-1-carboxamide;4-(dimethylamino)-N-[3-[4-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]benzamide;N-[3-(3-fluoro-4-phenylphenyl)-1H-indazol-5-yl]-2-oxo-2-phenylacetamide;3-hydroxy-3-methyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]butanamide.

Molecular Properties

Compound NameN-[3-(3-acetylphenyl)-1H-indazol-5-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide;(2R)-N-[3-(3,4-dichlorophenyl)-1H-indazol-5-yl]-2-phenylcyclopropane-1-carboxamide;4-(dimethylamino)-N-[3-[4-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]benzamide;N-[3-(3-fluoro-4-phenylphenyl)-1H-indazol-5-yl]-2-oxo-2-phenylacetamide;3-hydroxy-3-methyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]butanamide
PubChem CID158489812
Molecular FormulaC121H96Cl2F4N16O10
Molecular Weight2081.10 g/mol
Exact Mass2078.68
IUPAC NameN-[3-(3-acetylphenyl)-1H-indazol-5-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide;(2R)-N-[3-(3,4-dichlorophenyl)-1H-indazol-5-yl]-2-phenylcyclopropane-1-carboxamide;4-(dimethylamino)-N-[3-[4-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]benzamide;N-[3-(3-fluoro-4-phenylphenyl)-1H-indazol-5-yl]-2-oxo-2-phenylacetamide;3-hydroxy-3-methyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]butanamide
SMILESCC(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)C4Cc5ccccc54)cc23)c1.CC(C)(O)CC(=O)Nc1ccc2[nH]nc(-c3ccc(Oc4ccccc4)cc3)c2c1.CN(C)c1ccc(C(=O)Nc2ccc3[nH]nc(-c4ccc(OC(F)(F)F)cc4)c3c2)cc1.O=C(Nc1ccc2[nH]nc(-c3ccc(-c4ccccc4)c(F)c3)c2c1)C(=O)c1ccccc1.O=C(Nc1ccc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2c1)C1C[C@H]1c1ccccc1
InChIInChI=1S/C27H18FN3O2.C24H23N3O3.C24H19N3O2.C23H17Cl2N3O.C23H19F3N4O2/c28-23-15-19(11-13-21(23)17-7-3-1-4-8-17)25-22-16-20(12-14-24(22)30-31-25)29-27(33)26(32)18-9-5-2-6-10-18;1-24(2,29)15-22(28)25-17-10-13-21-20(14-17)23(27-26-21)16-8-11-19(12-9-16)30-18-6-4-3-5-7-18;1-14(28)15-6-4-7-17(11-15)23-21-13-18(9-10-22(21)26-27-23)25-24(29)20-12-16-5-2-3-8-19(16)20;24-19-8-6-14(10-20(19)25)22-18-11-15(7-9-21(18)27-28-22)26-23(29)17-12-16(17)13-4-2-1-3-5-13;1-30(2)17-8-3-15(4-9-17)22(31)27-16-7-12-20-19(13-16)21(29-28-20)14-5-10-18(11-6-14)32-23(24,25)26/h1-16H,(H,29,33)(H,30,31);3-14,29H,15H2,1-2H3,(H,25,28)(H,26,27);2-11,13,20H,12H2,1H3,(H,25,29)(H,26,27);1-11,16-17H,12H2,(H,26,29)(H,27,28);3-13H,1-2H3,(H,27,31)(H,28,29)/t;;;16-,17?;/m...0./s1
InChIKeyHIODHAMZIOFANB-XTAFPOISSA-N
XLogP27.42
TPSA364.97 Ų
H-Bond Donors11
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002081.10
LogP ≤ 527.42
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[3-(3-acetylphenyl)-1H-indazol-5-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide;(2R)-N-[3-(3,4-dichlorophenyl)-1H-indazol-5-yl]-2-phenylcyclopropane-1-carboxamide;4-(dimethylamino)-N-[3-[4-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]benzamide;N-[3-(3-fluoro-4-phenylphenyl)-1H-indazol-5-yl]-2-oxo-2-phenylacetamide;3-hydroxy-3-methyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]butanamide with MolForge

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Related Compounds

N-[3-(4-tert-butylphenyl)-1H-indazol-5-yl]-1-phenylcyclopropane-1-carboxamide;4-(dimethylamino)-N-[3-[4-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]benzamide;N-[3-(3-fluorophenyl)-1H-indazol-5-yl]-2-oxo-2-phenylacetamide;3-hydroxy-2,2-dimethyl-N-(3-naphthalen-2-yl-1H-indazol-5-yl)propanamide;3-hydroxy-3-methyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]butanamide
CID 157935670
4-amino-N-[3-(3-chlorophenyl)-1H-indazol-5-yl]-2-(3,4-dichlorophenyl)butanamide;3-[5-[[4-amino-2-(3,4-dichlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzoic acid;4-amino-2-(3,4-dichlorophenyl)-N-[3-[3-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]butanamide;4-amino-N-[3-(3-fluorophenyl)-1H-indazol-5-yl]-2-phenylbutanamide;4-amino-2-phenyl-N-[3-[3-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]butanamide;methyl 3-[5-[[4-amino-2-(3,4-dichlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzoate
CID 158961221
N-[3-(4-tert-butylphenyl)-1H-indazol-5-yl]-1-phenylcyclopropane-1-carboxamide;4-(dimethylamino)-N-[3-[4-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]benzamide;N-[3-(3-fluoro-4-phenylphenyl)-1H-indazol-5-yl]-2-oxo-2-phenylacetamide;3-hydroxy-2,2-dimethyl-N-(3-naphthalen-2-yl-1H-indazol-5-yl)propanamide;3-hydroxy-3-methyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]butanamide
CID 159569294
4-(dimethylamino)-N-[3-[4-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]benzamide;N-[3-(3-fluoro-4-phenylphenyl)-1H-indazol-5-yl]-2-oxo-2-phenylacetamide;3-hydroxy-2,2-dimethyl-N-(3-naphthalen-2-yl-1H-indazol-5-yl)propanamide;3-hydroxy-3-methyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]butanamide;trans-(1R,2R)-N-[3-[4-(3,4-dichlorophenoxy)phenyl]-1H-indazol-5-yl]-2-phenylcyclopropane-1-carboxamide
CID 160016146

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-acetylphenyl)-1H-indazol-5-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide;(2R)-N-[3-(3,4-dichlorophenyl)-1H-indazol-5-yl]-2-phenylcyclopropane-1-carboxamide;4-(dimethylamino)-N-[3-[4-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]benzamide;N-[3-(3-fluoro-4-phenylphenyl)-1H-indazol-5-yl]-2-oxo-2-phenylacetamide;3-hydroxy-3-methyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]butanamide?
The IUPAC name of N-[3-(3-acetylphenyl)-1H-indazol-5-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide;(2R)-N-[3-(3,4-dichlorophenyl)-1H-indazol-5-yl]-2-phenylcyclopropane-1-carboxamide;4-(dimethylamino)-N-[3-[4-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]benzamide;N-[3-(3-fluoro-4-phenylphenyl)-1H-indazol-5-yl]-2-oxo-2-phenylacetamide;3-hydroxy-3-methyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]butanamide (CID 158489812) is N-[3-(3-acetylphenyl)-1H-indazol-5-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide;(2R)-N-[3-(3,4-dichlorophenyl)-1H-indazol-5-yl]-2-phenylcyclopropane-1-carboxamide;4-(dimethylamino)-N-[3-[4-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]benzamide;N-[3-(3-fluoro-4-phenylphenyl)-1H-indazol-5-yl]-2-oxo-2-phenylacetamide;3-hydroxy-3-methyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]butanamide.
What is the SMILES notation for N-[3-(3-acetylphenyl)-1H-indazol-5-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide;(2R)-N-[3-(3,4-dichlorophenyl)-1H-indazol-5-yl]-2-phenylcyclopropane-1-carboxamide;4-(dimethylamino)-N-[3-[4-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]benzamide;N-[3-(3-fluoro-4-phenylphenyl)-1H-indazol-5-yl]-2-oxo-2-phenylacetamide;3-hydroxy-3-methyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]butanamide?
The canonical SMILES for N-[3-(3-acetylphenyl)-1H-indazol-5-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide;(2R)-N-[3-(3,4-dichlorophenyl)-1H-indazol-5-yl]-2-phenylcyclopropane-1-carboxamide;4-(dimethylamino)-N-[3-[4-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]benzamide;N-[3-(3-fluoro-4-phenylphenyl)-1H-indazol-5-yl]-2-oxo-2-phenylacetamide;3-hydroxy-3-methyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]butanamide is CC(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)C4Cc5ccccc54)cc23)c1.CC(C)(O)CC(=O)Nc1ccc2[nH]nc(-c3ccc(Oc4ccccc4)cc3)c2c1.CN(C)c1ccc(C(=O)Nc2ccc3[nH]nc(-c4ccc(OC(F)(F)F)cc4)c3c2)cc1.O=C(Nc1ccc2[nH]nc(-c3ccc(-c4ccccc4)c(F)c3)c2c1)C(=O)c1ccccc1.O=C(Nc1ccc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2c1)C1C[C@H]1c1ccccc1.
What is the InChIKey of N-[3-(3-acetylphenyl)-1H-indazol-5-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide;(2R)-N-[3-(3,4-dichlorophenyl)-1H-indazol-5-yl]-2-phenylcyclopropane-1-carboxamide;4-(dimethylamino)-N-[3-[4-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]benzamide;N-[3-(3-fluoro-4-phenylphenyl)-1H-indazol-5-yl]-2-oxo-2-phenylacetamide;3-hydroxy-3-methyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]butanamide?
The InChIKey is HIODHAMZIOFANB-XTAFPOISSA-N. The full InChI is InChI=1S/C27H18FN3O2.C24H23N3O3.C24H19N3O2.C23H17Cl2N3O.C23H19F3N4O2/c28-23-15-19(11-13-21(23)17-7-3-1-4-8-17)25-22-16-20(12-14-24(22)30-31-25)29-27(33)26(32)18-9-5-2-6-10-18;1-24(2,29)15-22(28)25-17-10-13-21-20(14-17)23(27-26-21)16-8-11-19(12-9-16)30-18-6-4-3-5-7-18;1-14(28)15-6-4-7-17(11-15)23-21-13-18(9-10-22(21)26-27-23)25-24(29)20-12-16-5-2-3-8-19(16)20;24-19-8-6-14(10-20(19)25)22-18-11-15(7-9-21(18)27-28-22)26-23(29)17-12-16(17)13-4-2-1-3-5-13;1-30(2)17-8-3-15(4-9-17)22(31)27-16-7-12-20-19(13-16)21(29-28-20)14-5-10-18(11-6-14)32-23(24,25)26/h1-16H,(H,29,33)(H,30,31);3-14,29H,15H2,1-2H3,(H,25,28)(H,26,27);2-11,13,20H,12H2,1H3,(H,25,29)(H,26,27);1-11,16-17H,12H2,(H,26,29)(H,27,28);3-13H,1-2H3,(H,27,31)(H,28,29)/t;;;16-,17?;/m...0./s1.
What are the key properties of N-[3-(3-acetylphenyl)-1H-indazol-5-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide;(2R)-N-[3-(3,4-dichlorophenyl)-1H-indazol-5-yl]-2-phenylcyclopropane-1-carboxamide;4-(dimethylamino)-N-[3-[4-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]benzamide;N-[3-(3-fluoro-4-phenylphenyl)-1H-indazol-5-yl]-2-oxo-2-phenylacetamide;3-hydroxy-3-methyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]butanamide?
N-[3-(3-acetylphenyl)-1H-indazol-5-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide;(2R)-N-[3-(3,4-dichlorophenyl)-1H-indazol-5-yl]-2-phenylcyclopropane-1-carboxamide;4-(dimethylamino)-N-[3-[4-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]benzamide;N-[3-(3-fluoro-4-phenylphenyl)-1H-indazol-5-yl]-2-oxo-2-phenylacetamide;3-hydroxy-3-methyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]butanamide has a molecular weight of 2081.10 g/mol, XLogP of 27.42, 24 rotatable bonds, 11 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-acetylphenyl)-1H-indazol-5-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide;(2R)-N-[3-(3,4-dichlorophenyl)-1H-indazol-5-yl]-2-phenylcyclopropane-1-carboxamide;4-(dimethylamino)-N-[3-[4-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]benzamide;N-[3-(3-fluoro-4-phenylphenyl)-1H-indazol-5-yl]-2-oxo-2-phenylacetamide;3-hydroxy-3-methyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]butanamide is sourced from PubChem (CID 158489812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).