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

C123H108F4N16O10 — CID 159569294

IUPACN-[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
SMILESCC(C)(C)c1ccc(-c2n[nH]c3ccc(NC(=O)C4(c5ccccc5)CC4)cc23)cc1.CC(C)(CO)C(=O)Nc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1.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
InChIInChI=1S/C27H18FN3O2.C27H27N3O.C24H23N3O3.C23H19F3N4O2.C22H21N3O2/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;1-26(2,3)19-11-9-18(10-12-19)24-22-17-21(13-14-23(22)29-30-24)28-25(31)27(15-16-27)20-7-5-4-6-8-20;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;1-30(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;1-22(2,13-26)21(27)23-17-9-10-19-18(12-17)20(25-24-19)16-8-7-14-5-3-4-6-15(14)11-16/h1-16H,(H,29,33)(H,30,31);4-14,17H,15-16H2,1-3H3,(H,28,31)(H,29,30);3-14,29H,15H2,1-2H3,(H,25,28)(H,26,27);3-13H,1-2H3,(H,27,31)(H,28,29);3-12,26H,13H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyMHPMDZGAAHZMCL-UHFFFAOYSA-N
MW2046.31 g/mol
LogP26.96
Rot. Bonds24

About 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

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 (PubChem CID 159569294) has the molecular formula C123H108F4N16O10 and a molecular weight of 2046.31 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID159569294
Molecular FormulaC123H108F4N16O10
Molecular Weight2046.31 g/mol
Exact Mass2044.84
IUPAC NameN-[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
SMILESCC(C)(C)c1ccc(-c2n[nH]c3ccc(NC(=O)C4(c5ccccc5)CC4)cc23)cc1.CC(C)(CO)C(=O)Nc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1.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
InChIInChI=1S/C27H18FN3O2.C27H27N3O.C24H23N3O3.C23H19F3N4O2.C22H21N3O2/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;1-26(2,3)19-11-9-18(10-12-19)24-22-17-21(13-14-23(22)29-30-24)28-25(31)27(15-16-27)20-7-5-4-6-8-20;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;1-30(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;1-22(2,13-26)21(27)23-17-9-10-19-18(12-17)20(25-24-19)16-8-7-14-5-3-4-6-15(14)11-16/h1-16H,(H,29,33)(H,30,31);4-14,17H,15-16H2,1-3H3,(H,28,31)(H,29,30);3-14,29H,15H2,1-2H3,(H,25,28)(H,26,27);3-13H,1-2H3,(H,27,31)(H,28,29);3-12,26H,13H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyMHPMDZGAAHZMCL-UHFFFAOYSA-N
XLogP26.96
TPSA368.13 Ų
H-Bond Donors12
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms153
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002046.31
LogP ≤ 526.96
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc(-c2n[nH]c3ccc(NC(=O)C4(c5ccccc5)CC4)cc23)cc1.CC(C)(CO)C(=O)Nc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1.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.
What is the InChIKey of 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?
The InChIKey is MHPMDZGAAHZMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18FN3O2.C27H27N3O.C24H23N3O3.C23H19F3N4O2.C22H21N3O2/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;1-26(2,3)19-11-9-18(10-12-19)24-22-17-21(13-14-23(22)29-30-24)28-25(31)27(15-16-27)20-7-5-4-6-8-20;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;1-30(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;1-22(2,13-26)21(27)23-17-9-10-19-18(12-17)20(25-24-19)16-8-7-14-5-3-4-6-15(14)11-16/h1-16H,(H,29,33)(H,30,31);4-14,17H,15-16H2,1-3H3,(H,28,31)(H,29,30);3-14,29H,15H2,1-2H3,(H,25,28)(H,26,27);3-13H,1-2H3,(H,27,31)(H,28,29);3-12,26H,13H2,1-2H3,(H,23,27)(H,24,25).
What are the key properties of 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?
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 has a molecular weight of 2046.31 g/mol, XLogP of 26.96, 24 rotatable bonds, 12 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159569294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).