2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide;2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-3-phenyl-N-thiophen-3-ylpropanamide;3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3-phenylpropanamide;bis(3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide)

C140H127F3N20O5S4 — CID 160619517

IUPAC2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide;2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-3-phenyl-N-thiophen-3-ylpropanamide;3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3-phenylpropanamide;bis(3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide)
SMILESCC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1.CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1.Cc1ccc(-n2ncc3cc(C(c4ccccc4)C(C)(C)C(=O)Nc4ccsc4)ccc32)cc1.Cc1ccc(-n2ncc3cc(C(c4ccccc4)C(C)(C)C(=O)Nc4nc(C)cs4)ccc32)cc1.Cn1ccc(NC(=O)C(C)(C)C(c2ccccc2)c2ccc3c(cnn3-c3ccc(F)cc3)c2)n1
InChIInChI=1S/C29H28N4OS.C29H27N3OS.C28H26FN5O.2C27H23FN4OS/c1-19-10-13-24(14-11-19)33-25-15-12-22(16-23(25)17-30-33)26(21-8-6-5-7-9-21)29(3,4)27(34)32-28-31-20(2)18-35-28;1-20-9-12-25(13-10-20)32-26-14-11-22(17-23(26)18-30-32)27(21-7-5-4-6-8-21)29(2,3)28(33)31-24-15-16-34-19-24;1-28(2,27(35)31-25-15-16-33(3)32-25)26(19-7-5-4-6-8-19)20-9-14-24-21(17-20)18-30-34(24)23-12-10-22(29)11-13-23;2*1-27(2,25(33)31-26-29-14-15-34-26)24(18-6-4-3-5-7-18)19-8-13-23-20(16-19)17-30-32(23)22-11-9-21(28)10-12-22/h5-18,26H,1-4H3,(H,31,32,34);4-19,27H,1-3H3,(H,31,33);4-18,26H,1-3H3,(H,31,32,35);2*3-17,24H,1-2H3,(H,29,31,33)
InChIKeyRGNGPVCUWYTTBU-UHFFFAOYSA-N
MW2354.95 g/mol
LogP32.62
Rot. Bonds30

About 2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide;2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-3-phenyl-N-thiophen-3-ylpropanamide;3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3-phenylpropanamide;bis(3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide)

2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide;2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-3-phenyl-N-thiophen-3-ylpropanamide;3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3-phenylpropanamide;bis(3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide) (PubChem CID 160619517) has the molecular formula C140H127F3N20O5S4 and a molecular weight of 2354.95 g/mol. Its IUPAC name is 2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide;2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-3-phenyl-N-thiophen-3-ylpropanamide;3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3-phenylpropanamide;bis(3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide).

Molecular Properties

Compound Name2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide;2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-3-phenyl-N-thiophen-3-ylpropanamide;3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3-phenylpropanamide;bis(3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide)
PubChem CID160619517
Molecular FormulaC140H127F3N20O5S4
Molecular Weight2354.95 g/mol
Exact Mass2352.91
IUPAC Name2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide;2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-3-phenyl-N-thiophen-3-ylpropanamide;3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3-phenylpropanamide;bis(3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide)
SMILESCC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1.CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1.Cc1ccc(-n2ncc3cc(C(c4ccccc4)C(C)(C)C(=O)Nc4ccsc4)ccc32)cc1.Cc1ccc(-n2ncc3cc(C(c4ccccc4)C(C)(C)C(=O)Nc4nc(C)cs4)ccc32)cc1.Cn1ccc(NC(=O)C(C)(C)C(c2ccccc2)c2ccc3c(cnn3-c3ccc(F)cc3)c2)n1
InChIInChI=1S/C29H28N4OS.C29H27N3OS.C28H26FN5O.2C27H23FN4OS/c1-19-10-13-24(14-11-19)33-25-15-12-22(16-23(25)17-30-33)26(21-8-6-5-7-9-21)29(3,4)27(34)32-28-31-20(2)18-35-28;1-20-9-12-25(13-10-20)32-26-14-11-22(17-23(26)18-30-32)27(21-7-5-4-6-8-21)29(2,3)28(33)31-24-15-16-34-19-24;1-28(2,27(35)31-25-15-16-33(3)32-25)26(19-7-5-4-6-8-19)20-9-14-24-21(17-20)18-30-34(24)23-12-10-22(29)11-13-23;2*1-27(2,25(33)31-26-29-14-15-34-26)24(18-6-4-3-5-7-18)19-8-13-23-20(16-19)17-30-32(23)22-11-9-21(28)10-12-22/h5-18,26H,1-4H3,(H,31,32,34);4-19,27H,1-3H3,(H,31,33);4-18,26H,1-3H3,(H,31,32,35);2*3-17,24H,1-2H3,(H,29,31,33)
InChIKeyRGNGPVCUWYTTBU-UHFFFAOYSA-N
XLogP32.62
TPSA291.09 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds30
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002354.95
LogP ≤ 532.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Analyze 2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide;2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-3-phenyl-N-thiophen-3-ylpropanamide;3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3-phenylpropanamide;bis(3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide;2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-3-phenyl-N-thiophen-3-ylpropanamide;3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3-phenylpropanamide;bis(3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide)?
The IUPAC name of 2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide;2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-3-phenyl-N-thiophen-3-ylpropanamide;3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3-phenylpropanamide;bis(3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide) (CID 160619517) is 2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide;2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-3-phenyl-N-thiophen-3-ylpropanamide;3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3-phenylpropanamide;bis(3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide).
What is the SMILES notation for 2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide;2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-3-phenyl-N-thiophen-3-ylpropanamide;3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3-phenylpropanamide;bis(3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide)?
The canonical SMILES for 2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide;2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-3-phenyl-N-thiophen-3-ylpropanamide;3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3-phenylpropanamide;bis(3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide) is CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1.CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1.Cc1ccc(-n2ncc3cc(C(c4ccccc4)C(C)(C)C(=O)Nc4ccsc4)ccc32)cc1.Cc1ccc(-n2ncc3cc(C(c4ccccc4)C(C)(C)C(=O)Nc4nc(C)cs4)ccc32)cc1.Cn1ccc(NC(=O)C(C)(C)C(c2ccccc2)c2ccc3c(cnn3-c3ccc(F)cc3)c2)n1.
What is the InChIKey of 2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide;2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-3-phenyl-N-thiophen-3-ylpropanamide;3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3-phenylpropanamide;bis(3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide)?
The InChIKey is RGNGPVCUWYTTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4OS.C29H27N3OS.C28H26FN5O.2C27H23FN4OS/c1-19-10-13-24(14-11-19)33-25-15-12-22(16-23(25)17-30-33)26(21-8-6-5-7-9-21)29(3,4)27(34)32-28-31-20(2)18-35-28;1-20-9-12-25(13-10-20)32-26-14-11-22(17-23(26)18-30-32)27(21-7-5-4-6-8-21)29(2,3)28(33)31-24-15-16-34-19-24;1-28(2,27(35)31-25-15-16-33(3)32-25)26(19-7-5-4-6-8-19)20-9-14-24-21(17-20)18-30-34(24)23-12-10-22(29)11-13-23;2*1-27(2,25(33)31-26-29-14-15-34-26)24(18-6-4-3-5-7-18)19-8-13-23-20(16-19)17-30-32(23)22-11-9-21(28)10-12-22/h5-18,26H,1-4H3,(H,31,32,34);4-19,27H,1-3H3,(H,31,33);4-18,26H,1-3H3,(H,31,32,35);2*3-17,24H,1-2H3,(H,29,31,33).
What are the key properties of 2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide;2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-3-phenyl-N-thiophen-3-ylpropanamide;3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3-phenylpropanamide;bis(3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide)?
2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide;2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-3-phenyl-N-thiophen-3-ylpropanamide;3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3-phenylpropanamide;bis(3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide) has a molecular weight of 2354.95 g/mol, XLogP of 32.62, 30 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide;2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-3-phenyl-N-thiophen-3-ylpropanamide;3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3-phenylpropanamide;bis(3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide) is sourced from PubChem (CID 160619517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).