benzhydrylidenehydrazine;2,2-dimethyl-3-phenyl-3-(2-pyridin-2-yl-1H-indol-5-yl)-N-(1,3-thiazol-2-yl)propanamide;methyl 3-[4-(2-benzhydrylidenehydrazinyl)phenyl]-2,2-dimethyl-3-phenylpropanoate;methyl 3-(4-bromophenyl)-2,2-dimethyl-3-phenylpropanoate;methyl 2,2-dimethyl-3-phenyl-3-(2-pyridin-2-yl-1H-indol-5-yl)propanoate

C114H109BrN10O7S — CID 157234589

IUPACbenzhydrylidenehydrazine;2,2-dimethyl-3-phenyl-3-(2-pyridin-2-yl-1H-indol-5-yl)-N-(1,3-thiazol-2-yl)propanamide;methyl 3-[4-(2-benzhydrylidenehydrazinyl)phenyl]-2,2-dimethyl-3-phenylpropanoate;methyl 3-(4-bromophenyl)-2,2-dimethyl-3-phenylpropanoate;methyl 2,2-dimethyl-3-phenyl-3-(2-pyridin-2-yl-1H-indol-5-yl)propanoate
SMILESCC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2[nH]c(-c3ccccn3)cc2c1.COC(=O)C(C)(C)C(c1ccccc1)c1ccc(Br)cc1.COC(=O)C(C)(C)C(c1ccccc1)c1ccc(NN=C(c2ccccc2)c2ccccc2)cc1.COC(=O)C(C)(C)C(c1ccccc1)c1ccc2[nH]c(-c3ccccn3)cc2c1.NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H30N2O2.C27H24N4OS.C25H24N2O2.C18H19BrO2.C13H12N2/c1-31(2,30(34)35-3)28(23-13-7-4-8-14-23)24-19-21-27(22-20-24)32-33-29(25-15-9-5-10-16-25)26-17-11-6-12-18-26;1-27(2,25(32)31-26-29-14-15-33-26)24(18-8-4-3-5-9-18)19-11-12-21-20(16-19)17-23(30-21)22-10-6-7-13-28-22;1-25(2,24(28)29-3)23(17-9-5-4-6-10-17)18-12-13-20-19(15-18)16-22(27-20)21-11-7-8-14-26-21;1-18(2,17(20)21-3)16(13-7-5-4-6-8-13)14-9-11-15(19)12-10-14;14-15-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h4-22,28,32H,1-3H3;3-17,24,30H,1-2H3,(H,29,31,32);4-16,23,27H,1-3H3;4-12,16H,1-3H3;1-10H,14H2
InChIKeyAUMHRRPWZSBBKD-UHFFFAOYSA-N
MW1843.16 g/mol
LogP26.10
Rot. Bonds25

About benzhydrylidenehydrazine;2,2-dimethyl-3-phenyl-3-(2-pyridin-2-yl-1H-indol-5-yl)-N-(1,3-thiazol-2-yl)propanamide;methyl 3-[4-(2-benzhydrylidenehydrazinyl)phenyl]-2,2-dimethyl-3-phenylpropanoate;methyl 3-(4-bromophenyl)-2,2-dimethyl-3-phenylpropanoate;methyl 2,2-dimethyl-3-phenyl-3-(2-pyridin-2-yl-1H-indol-5-yl)propanoate

benzhydrylidenehydrazine;2,2-dimethyl-3-phenyl-3-(2-pyridin-2-yl-1H-indol-5-yl)-N-(1,3-thiazol-2-yl)propanamide;methyl 3-[4-(2-benzhydrylidenehydrazinyl)phenyl]-2,2-dimethyl-3-phenylpropanoate;methyl 3-(4-bromophenyl)-2,2-dimethyl-3-phenylpropanoate;methyl 2,2-dimethyl-3-phenyl-3-(2-pyridin-2-yl-1H-indol-5-yl)propanoate (PubChem CID 157234589) has the molecular formula C114H109BrN10O7S and a molecular weight of 1843.16 g/mol. Its IUPAC name is benzhydrylidenehydrazine;2,2-dimethyl-3-phenyl-3-(2-pyridin-2-yl-1H-indol-5-yl)-N-(1,3-thiazol-2-yl)propanamide;methyl 3-[4-(2-benzhydrylidenehydrazinyl)phenyl]-2,2-dimethyl-3-phenylpropanoate;methyl 3-(4-bromophenyl)-2,2-dimethyl-3-phenylpropanoate;methyl 2,2-dimethyl-3-phenyl-3-(2-pyridin-2-yl-1H-indol-5-yl)propanoate.

Molecular Properties

Compound Namebenzhydrylidenehydrazine;2,2-dimethyl-3-phenyl-3-(2-pyridin-2-yl-1H-indol-5-yl)-N-(1,3-thiazol-2-yl)propanamide;methyl 3-[4-(2-benzhydrylidenehydrazinyl)phenyl]-2,2-dimethyl-3-phenylpropanoate;methyl 3-(4-bromophenyl)-2,2-dimethyl-3-phenylpropanoate;methyl 2,2-dimethyl-3-phenyl-3-(2-pyridin-2-yl-1H-indol-5-yl)propanoate
PubChem CID157234589
Molecular FormulaC114H109BrN10O7S
Molecular Weight1843.16 g/mol
Exact Mass1840.74
IUPAC Namebenzhydrylidenehydrazine;2,2-dimethyl-3-phenyl-3-(2-pyridin-2-yl-1H-indol-5-yl)-N-(1,3-thiazol-2-yl)propanamide;methyl 3-[4-(2-benzhydrylidenehydrazinyl)phenyl]-2,2-dimethyl-3-phenylpropanoate;methyl 3-(4-bromophenyl)-2,2-dimethyl-3-phenylpropanoate;methyl 2,2-dimethyl-3-phenyl-3-(2-pyridin-2-yl-1H-indol-5-yl)propanoate
SMILESCC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2[nH]c(-c3ccccn3)cc2c1.COC(=O)C(C)(C)C(c1ccccc1)c1ccc(Br)cc1.COC(=O)C(C)(C)C(c1ccccc1)c1ccc(NN=C(c2ccccc2)c2ccccc2)cc1.COC(=O)C(C)(C)C(c1ccccc1)c1ccc2[nH]c(-c3ccccn3)cc2c1.NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H30N2O2.C27H24N4OS.C25H24N2O2.C18H19BrO2.C13H12N2/c1-31(2,30(34)35-3)28(23-13-7-4-8-14-23)24-19-21-27(22-20-24)32-33-29(25-15-9-5-10-16-25)26-17-11-6-12-18-26;1-27(2,25(32)31-26-29-14-15-33-26)24(18-8-4-3-5-9-18)19-11-12-21-20(16-19)17-23(30-21)22-10-6-7-13-28-22;1-25(2,24(28)29-3)23(17-9-5-4-6-10-17)18-12-13-20-19(15-18)16-22(27-20)21-11-7-8-14-26-21;1-18(2,17(20)21-3)16(13-7-5-4-6-8-13)14-9-11-15(19)12-10-14;14-15-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h4-22,28,32H,1-3H3;3-17,24,30H,1-2H3,(H,29,31,32);4-16,23,27H,1-3H3;4-12,16H,1-3H3;1-10H,14H2
InChIKeyAUMHRRPWZSBBKD-UHFFFAOYSA-N
XLogP26.10
TPSA241.02 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds25
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001843.16
LogP ≤ 526.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze benzhydrylidenehydrazine;2,2-dimethyl-3-phenyl-3-(2-pyridin-2-yl-1H-indol-5-yl)-N-(1,3-thiazol-2-yl)propanamide;methyl 3-[4-(2-benzhydrylidenehydrazinyl)phenyl]-2,2-dimethyl-3-phenylpropanoate;methyl 3-(4-bromophenyl)-2,2-dimethyl-3-phenylpropanoate;methyl 2,2-dimethyl-3-phenyl-3-(2-pyridin-2-yl-1H-indol-5-yl)propanoate 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

2,2-dimethyl-3-(1-methylindol-5-yl)-3-phenylpropanoic acid;2,2-dimethyl-3-(1-methylindol-5-yl)-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(1H-indol-5-yl)-2,2-dimethyl-3-phenylpropanoic acid
CID 159848765

Frequently Asked Questions

What is the IUPAC name of benzhydrylidenehydrazine;2,2-dimethyl-3-phenyl-3-(2-pyridin-2-yl-1H-indol-5-yl)-N-(1,3-thiazol-2-yl)propanamide;methyl 3-[4-(2-benzhydrylidenehydrazinyl)phenyl]-2,2-dimethyl-3-phenylpropanoate;methyl 3-(4-bromophenyl)-2,2-dimethyl-3-phenylpropanoate;methyl 2,2-dimethyl-3-phenyl-3-(2-pyridin-2-yl-1H-indol-5-yl)propanoate?
The IUPAC name of benzhydrylidenehydrazine;2,2-dimethyl-3-phenyl-3-(2-pyridin-2-yl-1H-indol-5-yl)-N-(1,3-thiazol-2-yl)propanamide;methyl 3-[4-(2-benzhydrylidenehydrazinyl)phenyl]-2,2-dimethyl-3-phenylpropanoate;methyl 3-(4-bromophenyl)-2,2-dimethyl-3-phenylpropanoate;methyl 2,2-dimethyl-3-phenyl-3-(2-pyridin-2-yl-1H-indol-5-yl)propanoate (CID 157234589) is benzhydrylidenehydrazine;2,2-dimethyl-3-phenyl-3-(2-pyridin-2-yl-1H-indol-5-yl)-N-(1,3-thiazol-2-yl)propanamide;methyl 3-[4-(2-benzhydrylidenehydrazinyl)phenyl]-2,2-dimethyl-3-phenylpropanoate;methyl 3-(4-bromophenyl)-2,2-dimethyl-3-phenylpropanoate;methyl 2,2-dimethyl-3-phenyl-3-(2-pyridin-2-yl-1H-indol-5-yl)propanoate.
What is the SMILES notation for benzhydrylidenehydrazine;2,2-dimethyl-3-phenyl-3-(2-pyridin-2-yl-1H-indol-5-yl)-N-(1,3-thiazol-2-yl)propanamide;methyl 3-[4-(2-benzhydrylidenehydrazinyl)phenyl]-2,2-dimethyl-3-phenylpropanoate;methyl 3-(4-bromophenyl)-2,2-dimethyl-3-phenylpropanoate;methyl 2,2-dimethyl-3-phenyl-3-(2-pyridin-2-yl-1H-indol-5-yl)propanoate?
The canonical SMILES for benzhydrylidenehydrazine;2,2-dimethyl-3-phenyl-3-(2-pyridin-2-yl-1H-indol-5-yl)-N-(1,3-thiazol-2-yl)propanamide;methyl 3-[4-(2-benzhydrylidenehydrazinyl)phenyl]-2,2-dimethyl-3-phenylpropanoate;methyl 3-(4-bromophenyl)-2,2-dimethyl-3-phenylpropanoate;methyl 2,2-dimethyl-3-phenyl-3-(2-pyridin-2-yl-1H-indol-5-yl)propanoate is CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2[nH]c(-c3ccccn3)cc2c1.COC(=O)C(C)(C)C(c1ccccc1)c1ccc(Br)cc1.COC(=O)C(C)(C)C(c1ccccc1)c1ccc(NN=C(c2ccccc2)c2ccccc2)cc1.COC(=O)C(C)(C)C(c1ccccc1)c1ccc2[nH]c(-c3ccccn3)cc2c1.NN=C(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydrylidenehydrazine;2,2-dimethyl-3-phenyl-3-(2-pyridin-2-yl-1H-indol-5-yl)-N-(1,3-thiazol-2-yl)propanamide;methyl 3-[4-(2-benzhydrylidenehydrazinyl)phenyl]-2,2-dimethyl-3-phenylpropanoate;methyl 3-(4-bromophenyl)-2,2-dimethyl-3-phenylpropanoate;methyl 2,2-dimethyl-3-phenyl-3-(2-pyridin-2-yl-1H-indol-5-yl)propanoate?
The InChIKey is AUMHRRPWZSBBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O2.C27H24N4OS.C25H24N2O2.C18H19BrO2.C13H12N2/c1-31(2,30(34)35-3)28(23-13-7-4-8-14-23)24-19-21-27(22-20-24)32-33-29(25-15-9-5-10-16-25)26-17-11-6-12-18-26;1-27(2,25(32)31-26-29-14-15-33-26)24(18-8-4-3-5-9-18)19-11-12-21-20(16-19)17-23(30-21)22-10-6-7-13-28-22;1-25(2,24(28)29-3)23(17-9-5-4-6-10-17)18-12-13-20-19(15-18)16-22(27-20)21-11-7-8-14-26-21;1-18(2,17(20)21-3)16(13-7-5-4-6-8-13)14-9-11-15(19)12-10-14;14-15-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h4-22,28,32H,1-3H3;3-17,24,30H,1-2H3,(H,29,31,32);4-16,23,27H,1-3H3;4-12,16H,1-3H3;1-10H,14H2.
What are the key properties of benzhydrylidenehydrazine;2,2-dimethyl-3-phenyl-3-(2-pyridin-2-yl-1H-indol-5-yl)-N-(1,3-thiazol-2-yl)propanamide;methyl 3-[4-(2-benzhydrylidenehydrazinyl)phenyl]-2,2-dimethyl-3-phenylpropanoate;methyl 3-(4-bromophenyl)-2,2-dimethyl-3-phenylpropanoate;methyl 2,2-dimethyl-3-phenyl-3-(2-pyridin-2-yl-1H-indol-5-yl)propanoate?
benzhydrylidenehydrazine;2,2-dimethyl-3-phenyl-3-(2-pyridin-2-yl-1H-indol-5-yl)-N-(1,3-thiazol-2-yl)propanamide;methyl 3-[4-(2-benzhydrylidenehydrazinyl)phenyl]-2,2-dimethyl-3-phenylpropanoate;methyl 3-(4-bromophenyl)-2,2-dimethyl-3-phenylpropanoate;methyl 2,2-dimethyl-3-phenyl-3-(2-pyridin-2-yl-1H-indol-5-yl)propanoate has a molecular weight of 1843.16 g/mol, XLogP of 26.10, 25 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydrylidenehydrazine;2,2-dimethyl-3-phenyl-3-(2-pyridin-2-yl-1H-indol-5-yl)-N-(1,3-thiazol-2-yl)propanamide;methyl 3-[4-(2-benzhydrylidenehydrazinyl)phenyl]-2,2-dimethyl-3-phenylpropanoate;methyl 3-(4-bromophenyl)-2,2-dimethyl-3-phenylpropanoate;methyl 2,2-dimethyl-3-phenyl-3-(2-pyridin-2-yl-1H-indol-5-yl)propanoate is sourced from PubChem (CID 157234589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).