Bis(4-amino-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide);3-bromoimidazo[1,2-a]pyrazine;carbanide;1-[4-(imidazo[1,2-a]pyrazin-3-ylamino)phenyl]-2-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;5-methyl-4-(trifluoromethyl)pyridin-2-amine;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-nitrobenzamide;4-nitrobenzoic acid;palladium
C84H69BrF15N20O10Pd- — CID 167636932
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACbis(4-amino-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide);3-bromoimidazo[1,2-a]pyrazine;carbanide;1-[4-(imidazo[1,2-a]pyrazin-3-ylamino)phenyl]-2-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;5-methyl-4-(trifluoromethyl)pyridin-2-amine;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-nitrobenzamide;4-nitrobenzoic acid;palladium
SMILESBrc1cnc2cnccn12.Cc1cnc(CC(=O)c2ccc(Nc3cnc4cnccn34)cc2)cc1C(F)(F)F.Cc1cnc(N)cc1C(F)(F)F.Cc1cnc(NC(=O)c2ccc(N)cc2)cc1C(F)(F)F.Cc1cnc(NC(=O)c2ccc(N)cc2)cc1C(F)(F)F.Cc1cnc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1C(F)(F)F.O=C(O)c1ccc([N+](=O)[O-])cc1.[CH3-].[Pd]
InChIInChI=1S/C21H16F3N5O.C14H10F3N3O3.2C14H12F3N3O.C7H7F3N2.C7H5NO4.C6H4BrN3.CH3.Pd/c1-13-10-26-16(8-17(13)21(22,23)24)9-18(30)14-2-4-15(5-3-14)28-20-12-27-19-11-25-6-7-29(19)20;1-8-7-18-12(6-11(8)14(15,16)17)19-13(21)9-2-4-10(5-3-9)20(22)23;2*1-8-7-19-12(6-11(8)14(15,16)17)20-13(21)9-2-4-10(18)5-3-9;1-4-3-12-6(11)2-5(4)7(8,9)10;9-7(10)5-1-3-6(4-2-5)8(11)12;7-5-3-9-6-4-8-1-2-10(5)6;;/h2-8,10-12,28H,9H2,1H3;2-7H,1H3,(H,18,19,21);2*2-7H,18H2,1H3,(H,19,20,21);2-3H,1H3,(H2,11,12);1-4H,(H,9,10);1-4H;1H3;/q;;;;;;;-1;
InChIKeyPHKMHRDVAWMHNM-UHFFFAOYSA-N
MW1989.90 g/mol
LogP19.90
Rot. Bonds14
About Bis(4-amino-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide);3-bromoimidazo[1,2-a]pyrazine;carbanide;1-[4-(imidazo[1,2-a]pyrazin-3-ylamino)phenyl]-2-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;5-methyl-4-(trifluoromethyl)pyridin-2-amine;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-nitrobenzamide;4-nitrobenzoic acid;palladium
Bis(4-amino-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide);3-bromoimidazo[1,2-a]pyrazine;carbanide;1-[4-(imidazo[1,2-a]pyrazin-3-ylamino)phenyl]-2-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;5-methyl-4-(trifluoromethyl)pyridin-2-amine;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-nitrobenzamide;4-nitrobenzoic acid;palladium (PubChem CID 167636932) has the molecular formula C84H69BrF15N20O10Pd- and a molecular weight of 1989.90 g/mol. Its IUPAC name is bis(4-amino-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide);3-bromoimidazo[1,2-a]pyrazine;carbanide;1-[4-(imidazo[1,2-a]pyrazin-3-ylamino)phenyl]-2-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;5-methyl-4-(trifluoromethyl)pyridin-2-amine;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-nitrobenzamide;4-nitrobenzoic acid;palladium.
Molecular Properties
| Compound Name | Bis(4-amino-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide);3-bromoimidazo[1,2-a]pyrazine;carbanide;1-[4-(imidazo[1,2-a]pyrazin-3-ylamino)phenyl]-2-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;5-methyl-4-(trifluoromethyl)pyridin-2-amine;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-nitrobenzamide;4-nitrobenzoic acid;palladium |
|---|---|
| PubChem CID | 167636932 |
| Molecular Formula | C84H69BrF15N20O10Pd- |
| Molecular Weight | 1989.90 g/mol |
| Exact Mass | 1987.35 |
| IUPAC Name | bis(4-amino-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide);3-bromoimidazo[1,2-a]pyrazine;carbanide;1-[4-(imidazo[1,2-a]pyrazin-3-ylamino)phenyl]-2-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;5-methyl-4-(trifluoromethyl)pyridin-2-amine;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-nitrobenzamide;4-nitrobenzoic acid;palladium |
| SMILES | Brc1cnc2cnccn12.Cc1cnc(CC(=O)c2ccc(Nc3cnc4cnccn34)cc2)cc1C(F)(F)F.Cc1cnc(N)cc1C(F)(F)F.Cc1cnc(NC(=O)c2ccc(N)cc2)cc1C(F)(F)F.Cc1cnc(NC(=O)c2ccc(N)cc2)cc1C(F)(F)F.Cc1cnc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1C(F)(F)F.O=C(O)c1ccc([N+](=O)[O-])cc1.[CH3-].[Pd] |
| InChI | InChI=1S/C21H16F3N5O.C14H10F3N3O3.2C14H12F3N3O.C7H7F3N2.C7H5NO4.C6H4BrN3.CH3.Pd/c1-13-10-26-16(8-17(13)21(22,23)24)9-18(30)14-2-4-15(5-3-14)28-20-12-27-19-11-25-6-7-29(19)20;1-8-7-18-12(6-11(8)14(15,16)17)19-13(21)9-2-4-10(5-3-9)20(22)23;2*1-8-7-19-12(6-11(8)14(15,16)17)20-13(21)9-2-4-10(18)5-3-9;1-4-3-12-6(11)2-5(4)7(8,9)10;9-7(10)5-1-3-6(4-2-5)8(11)12;7-5-3-9-6-4-8-1-2-10(5)6;;/h2-8,10-12,28H,9H2,1H3;2-7H,1H3,(H,18,19,21);2*2-7H,18H2,1H3,(H,19,20,21);2-3H,1H3,(H2,11,12);1-4H,(H,9,10);1-4H;1H3;/q;;;;;;;-1; |
| InChIKey | PHKMHRDVAWMHNM-UHFFFAOYSA-N |
| XLogP | 19.90 |
| TPSA | 442.87 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 131 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1989.90 |
| LogP ≤ 5 | 19.90 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 24 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of Bis(4-amino-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide);3-bromoimidazo[1,2-a]pyrazine;carbanide;1-[4-(imidazo[1,2-a]pyrazin-3-ylamino)phenyl]-2-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;5-methyl-4-(trifluoromethyl)pyridin-2-amine;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-nitrobenzamide;4-nitrobenzoic acid;palladium?
The IUPAC name of Bis(4-amino-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide);3-bromoimidazo[1,2-a]pyrazine;carbanide;1-[4-(imidazo[1,2-a]pyrazin-3-ylamino)phenyl]-2-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;5-methyl-4-(trifluoromethyl)pyridin-2-amine;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-nitrobenzamide;4-nitrobenzoic acid;palladium (CID 167636932) is bis(4-amino-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide);3-bromoimidazo[1,2-a]pyrazine;carbanide;1-[4-(imidazo[1,2-a]pyrazin-3-ylamino)phenyl]-2-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;5-methyl-4-(trifluoromethyl)pyridin-2-amine;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-nitrobenzamide;4-nitrobenzoic acid;palladium.
What is the SMILES notation for Bis(4-amino-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide);3-bromoimidazo[1,2-a]pyrazine;carbanide;1-[4-(imidazo[1,2-a]pyrazin-3-ylamino)phenyl]-2-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;5-methyl-4-(trifluoromethyl)pyridin-2-amine;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-nitrobenzamide;4-nitrobenzoic acid;palladium?
The canonical SMILES for Bis(4-amino-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide);3-bromoimidazo[1,2-a]pyrazine;carbanide;1-[4-(imidazo[1,2-a]pyrazin-3-ylamino)phenyl]-2-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;5-methyl-4-(trifluoromethyl)pyridin-2-amine;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-nitrobenzamide;4-nitrobenzoic acid;palladium is Brc1cnc2cnccn12.Cc1cnc(CC(=O)c2ccc(Nc3cnc4cnccn34)cc2)cc1C(F)(F)F.Cc1cnc(N)cc1C(F)(F)F.Cc1cnc(NC(=O)c2ccc(N)cc2)cc1C(F)(F)F.Cc1cnc(NC(=O)c2ccc(N)cc2)cc1C(F)(F)F.Cc1cnc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1C(F)(F)F.O=C(O)c1ccc([N+](=O)[O-])cc1.[CH3-].[Pd].
What is the InChIKey of Bis(4-amino-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide);3-bromoimidazo[1,2-a]pyrazine;carbanide;1-[4-(imidazo[1,2-a]pyrazin-3-ylamino)phenyl]-2-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;5-methyl-4-(trifluoromethyl)pyridin-2-amine;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-nitrobenzamide;4-nitrobenzoic acid;palladium?
The InChIKey is PHKMHRDVAWMHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O.C14H10F3N3O3.2C14H12F3N3O.C7H7F3N2.C7H5NO4.C6H4BrN3.CH3.Pd/c1-13-10-26-16(8-17(13)21(22,23)24)9-18(30)14-2-4-15(5-3-14)28-20-12-27-19-11-25-6-7-29(19)20;1-8-7-18-12(6-11(8)14(15,16)17)19-13(21)9-2-4-10(5-3-9)20(22)23;2*1-8-7-19-12(6-11(8)14(15,16)17)20-13(21)9-2-4-10(18)5-3-9;1-4-3-12-6(11)2-5(4)7(8,9)10;9-7(10)5-1-3-6(4-2-5)8(11)12;7-5-3-9-6-4-8-1-2-10(5)6;;/h2-8,10-12,28H,9H2,1H3;2-7H,1H3,(H,18,19,21);2*2-7H,18H2,1H3,(H,19,20,21);2-3H,1H3,(H2,11,12);1-4H,(H,9,10);1-4H;1H3;/q;;;;;;;-1;.
What are the key properties of Bis(4-amino-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide);3-bromoimidazo[1,2-a]pyrazine;carbanide;1-[4-(imidazo[1,2-a]pyrazin-3-ylamino)phenyl]-2-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;5-methyl-4-(trifluoromethyl)pyridin-2-amine;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-nitrobenzamide;4-nitrobenzoic acid;palladium?
Bis(4-amino-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide);3-bromoimidazo[1,2-a]pyrazine;carbanide;1-[4-(imidazo[1,2-a]pyrazin-3-ylamino)phenyl]-2-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;5-methyl-4-(trifluoromethyl)pyridin-2-amine;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-nitrobenzamide;4-nitrobenzoic acid;palladium has a molecular weight of 1989.90 g/mol, XLogP of 19.90, 14 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for Bis(4-amino-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide);3-bromoimidazo[1,2-a]pyrazine;carbanide;1-[4-(imidazo[1,2-a]pyrazin-3-ylamino)phenyl]-2-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;5-methyl-4-(trifluoromethyl)pyridin-2-amine;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-nitrobenzamide;4-nitrobenzoic acid;palladium is sourced from PubChem (CID 167636932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 167636932 — identifiers, structure, computed properties (public domain)
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