carbon dioxide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;1-[(3-phenylphenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide;2-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;3-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid

C191H168N14O18 — CID 158450507

IUPACcarbon dioxide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;1-[(3-phenylphenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide;2-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;3-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid
SMILESCCC(NC(=O)c1ccc2c(ccn2Cc2cccc(-c3ccc(C(=O)O)cc3)c2)c1)c1ccccc1.CCC(NC(=O)c1ccc2c(ccn2Cc2cccc(-c3ccccc3)c2)c1)c1ccccc1.CCC(NC(=O)c1ccc2c(ccn2Cc2cccc(-c3ccccc3C(=O)O)c2)c1)c1ccccc1.CCC(NC(=O)c1ccc2c(ccn2Cc2ccccc2-c2cccc(C(=O)O)c2)c1)c1ccccc1.CCC(NC(=O)c1ccc2c(ccn2Cc2ccccc2-c2ccccc2C(=O)O)c1)c1ccccc1.Cc1c(C)n(Cc2ccc(-c3ccccn3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)cc12.O=C=O
InChIInChI=1S/4C32H28N2O3.C31H28N4O3.C31H28N2O.CO2/c1-2-29(23-10-4-3-5-11-23)33-31(35)26-15-16-30-25(20-26)17-18-34(30)21-22-9-8-12-24(19-22)27-13-6-7-14-28(27)32(36)37;1-2-29(22-10-4-3-5-11-22)33-31(35)24-16-17-30-23(20-24)18-19-34(30)21-25-12-6-7-13-26(25)27-14-8-9-15-28(27)32(36)37;1-2-29(22-9-4-3-5-10-22)33-31(35)25-15-16-30-24(20-25)17-18-34(30)21-27-11-6-7-14-28(27)23-12-8-13-26(19-23)32(36)37;1-2-29(24-8-4-3-5-9-24)33-31(35)28-15-16-30-27(20-28)17-18-34(30)21-22-7-6-10-26(19-22)23-11-13-25(14-12-23)32(36)37;1-20-22(3)34(19-23-7-9-25(10-8-23)29-6-4-5-17-32-29)30-16-13-26(18-28(20)30)31(36)33-21(2)24-11-14-27(15-12-24)35(37)38;1-2-29(25-13-7-4-8-14-25)32-31(34)28-16-17-30-27(21-28)18-19-33(30)22-23-10-9-15-26(20-23)24-11-5-3-6-12-24;2-1-3/h4*3-20,29H,2,21H2,1H3,(H,33,35)(H,36,37);4-18,21H,19H2,1-3H3,(H,33,36);3-21,29H,2,22H2,1H3,(H,32,34);/t;;;;21-;;/m....0../s1
InChIKeyHDXQPEDTQIYNKS-YXMJSPGTSA-N
MW2947.52 g/mol
LogP41.17
Rot. Bonds46

About carbon dioxide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;1-[(3-phenylphenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide;2-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;3-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid

carbon dioxide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;1-[(3-phenylphenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide;2-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;3-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid (PubChem CID 158450507) has the molecular formula C191H168N14O18 and a molecular weight of 2947.52 g/mol. Its IUPAC name is carbon dioxide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;1-[(3-phenylphenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide;2-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;3-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid.

Molecular Properties

Compound Namecarbon dioxide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;1-[(3-phenylphenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide;2-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;3-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid
PubChem CID158450507
Molecular FormulaC191H168N14O18
Molecular Weight2947.52 g/mol
Exact Mass2945.27
IUPAC Namecarbon dioxide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;1-[(3-phenylphenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide;2-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;3-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid
SMILESCCC(NC(=O)c1ccc2c(ccn2Cc2cccc(-c3ccc(C(=O)O)cc3)c2)c1)c1ccccc1.CCC(NC(=O)c1ccc2c(ccn2Cc2cccc(-c3ccccc3)c2)c1)c1ccccc1.CCC(NC(=O)c1ccc2c(ccn2Cc2cccc(-c3ccccc3C(=O)O)c2)c1)c1ccccc1.CCC(NC(=O)c1ccc2c(ccn2Cc2ccccc2-c2cccc(C(=O)O)c2)c1)c1ccccc1.CCC(NC(=O)c1ccc2c(ccn2Cc2ccccc2-c2ccccc2C(=O)O)c1)c1ccccc1.Cc1c(C)n(Cc2ccc(-c3ccccn3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)cc12.O=C=O
InChIInChI=1S/4C32H28N2O3.C31H28N4O3.C31H28N2O.CO2/c1-2-29(23-10-4-3-5-11-23)33-31(35)26-15-16-30-25(20-26)17-18-34(30)21-22-9-8-12-24(19-22)27-13-6-7-14-28(27)32(36)37;1-2-29(22-10-4-3-5-11-22)33-31(35)24-16-17-30-23(20-24)18-19-34(30)21-25-12-6-7-13-26(25)27-14-8-9-15-28(27)32(36)37;1-2-29(22-9-4-3-5-10-22)33-31(35)25-15-16-30-24(20-25)17-18-34(30)21-27-11-6-7-14-28(27)23-12-8-13-26(19-23)32(36)37;1-2-29(24-8-4-3-5-9-24)33-31(35)28-15-16-30-27(20-28)17-18-34(30)21-22-7-6-10-26(19-22)23-11-13-25(14-12-23)32(36)37;1-20-22(3)34(19-23-7-9-25(10-8-23)29-6-4-5-17-32-29)30-16-13-26(18-28(20)30)31(36)33-21(2)24-11-14-27(15-12-24)35(37)38;1-2-29(25-13-7-4-8-14-25)32-31(34)28-16-17-30-27(21-28)18-19-33(30)22-23-10-9-15-26(20-23)24-11-5-3-6-12-24;2-1-3/h4*3-20,29H,2,21H2,1H3,(H,33,35)(H,36,37);4-18,21H,19H2,1-3H3,(H,33,36);3-21,29H,2,22H2,1H3,(H,32,34);/t;;;;21-;;/m....0../s1
InChIKeyHDXQPEDTQIYNKS-YXMJSPGTSA-N
XLogP41.17
TPSA443.55 Ų
H-Bond Donors10
H-Bond Acceptors21
Rotatable Bonds46
Heavy Atoms223
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002947.52
LogP ≤ 541.17
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze carbon dioxide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;1-[(3-phenylphenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide;2-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;3-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;1-[(3-phenylphenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide;2-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;3-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid?
The IUPAC name of carbon dioxide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;1-[(3-phenylphenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide;2-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;3-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid (CID 158450507) is carbon dioxide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;1-[(3-phenylphenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide;2-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;3-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid.
What is the SMILES notation for carbon dioxide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;1-[(3-phenylphenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide;2-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;3-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid?
The canonical SMILES for carbon dioxide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;1-[(3-phenylphenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide;2-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;3-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid is CCC(NC(=O)c1ccc2c(ccn2Cc2cccc(-c3ccc(C(=O)O)cc3)c2)c1)c1ccccc1.CCC(NC(=O)c1ccc2c(ccn2Cc2cccc(-c3ccccc3)c2)c1)c1ccccc1.CCC(NC(=O)c1ccc2c(ccn2Cc2cccc(-c3ccccc3C(=O)O)c2)c1)c1ccccc1.CCC(NC(=O)c1ccc2c(ccn2Cc2ccccc2-c2cccc(C(=O)O)c2)c1)c1ccccc1.CCC(NC(=O)c1ccc2c(ccn2Cc2ccccc2-c2ccccc2C(=O)O)c1)c1ccccc1.Cc1c(C)n(Cc2ccc(-c3ccccn3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)cc12.O=C=O.
What is the InChIKey of carbon dioxide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;1-[(3-phenylphenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide;2-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;3-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid?
The InChIKey is HDXQPEDTQIYNKS-YXMJSPGTSA-N. The full InChI is InChI=1S/4C32H28N2O3.C31H28N4O3.C31H28N2O.CO2/c1-2-29(23-10-4-3-5-11-23)33-31(35)26-15-16-30-25(20-26)17-18-34(30)21-22-9-8-12-24(19-22)27-13-6-7-14-28(27)32(36)37;1-2-29(22-10-4-3-5-11-22)33-31(35)24-16-17-30-23(20-24)18-19-34(30)21-25-12-6-7-13-26(25)27-14-8-9-15-28(27)32(36)37;1-2-29(22-9-4-3-5-10-22)33-31(35)25-15-16-30-24(20-25)17-18-34(30)21-27-11-6-7-14-28(27)23-12-8-13-26(19-23)32(36)37;1-2-29(24-8-4-3-5-9-24)33-31(35)28-15-16-30-27(20-28)17-18-34(30)21-22-7-6-10-26(19-22)23-11-13-25(14-12-23)32(36)37;1-20-22(3)34(19-23-7-9-25(10-8-23)29-6-4-5-17-32-29)30-16-13-26(18-28(20)30)31(36)33-21(2)24-11-14-27(15-12-24)35(37)38;1-2-29(25-13-7-4-8-14-25)32-31(34)28-16-17-30-27(21-28)18-19-33(30)22-23-10-9-15-26(20-23)24-11-5-3-6-12-24;2-1-3/h4*3-20,29H,2,21H2,1H3,(H,33,35)(H,36,37);4-18,21H,19H2,1-3H3,(H,33,36);3-21,29H,2,22H2,1H3,(H,32,34);/t;;;;21-;;/m....0../s1.
What are the key properties of carbon dioxide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;1-[(3-phenylphenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide;2-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;3-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid?
carbon dioxide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;1-[(3-phenylphenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide;2-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;3-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid has a molecular weight of 2947.52 g/mol, XLogP of 41.17, 46 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;1-[(3-phenylphenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide;2-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;3-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid is sourced from PubChem (CID 158450507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).