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

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 Namebis(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 CID167636932
Molecular FormulaC84H69BrF15N20O10Pd-
Molecular Weight1989.90 g/mol
Exact Mass1987.35
IUPAC Namebis(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
XLogP19.90
TPSA442.87 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds14
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001989.90
LogP ≤ 519.90
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

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'}

Analyze 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 with MolForge

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Related Compounds

2-(2-Methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;[2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]methanol
CID 159847816
3-bromoimidazo[1,2-a]pyrazine;2,5-dimethyl-4-(trifluoromethyl)pyridine;1-[4-(imidazo[1,2-a]pyrazin-3-ylamino)phenyl]-2-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;4-methylbenzoic acid;tris(4-methyl-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide)
CID 167556578
1-[3-Amino-4-[(2-bromo-4-pyridinyl)amino]phenyl]ethanone;2-bromopyridin-4-amine;1-[4-[(2-bromo-4-pyridinyl)amino]-3-nitrophenyl]ethanone;1-[1-(2-bromo-4-pyridinyl)benzimidazol-5-yl]ethanone;2-[1-(2-bromo-4-pyridinyl)benzimidazol-5-yl]propan-2-ol;1-(4-fluoro-3-nitrophenyl)ethanone
CID 159419477

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).