2-(4-bromopyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-bromo-5-(trifluoromethyl)pyridine;N'-hydroxy-5-[(4-methoxyphenyl)methyl-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carboximidamide;N'-hydroxy-5-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carboximidamide;N-[(4-methoxyphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-amine;5-[(4-methoxyphenyl)methyl-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carbonitrile;2-pyrazol-1-yl-5-(trifluoromethyl)pyridine;1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-amine

C111H85Br2F24N35O5 — CID 172921126

IUPAC2-(4-bromopyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-bromo-5-(trifluoromethyl)pyridine;N'-hydroxy-5-[(4-methoxyphenyl)methyl-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carboximidamide;N'-hydroxy-5-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carboximidamide;N-[(4-methoxyphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-amine;5-[(4-methoxyphenyl)methyl-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carbonitrile;2-pyrazol-1-yl-5-(trifluoromethyl)pyridine;1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-amine
SMILESCOc1ccc(CN(c2ccc(/C(N)=N/O)nc2)c2cnn(-c3ccc(C(F)(F)F)cn3)c2)cc1.COc1ccc(CN(c2ccc(C#N)nc2)c2cnn(-c3ccc(C(F)(F)F)cn3)c2)cc1.COc1ccc(CNc2cnn(-c3ccc(C(F)(F)F)cn3)c2)cc1.FC(F)(F)c1ccc(-n2cc(Br)cn2)nc1.FC(F)(F)c1ccc(-n2cccn2)nc1.FC(F)(F)c1ccc(Br)nc1.N/C(=N\O)c1ccc(Nc2cnn(-c3ccc(C(F)(F)F)cn3)c2)cn1.Nc1cnn(-c2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C23H20F3N7O2.C23H17F3N6O.C17H15F3N4O.C15H12F3N7O.C9H5BrF3N3.C9H7F3N4.C9H6F3N3.C6H3BrF3N/c1-35-19-6-2-15(3-7-19)13-32(17-5-8-20(28-11-17)22(27)31-34)18-12-30-33(14-18)21-9-4-16(10-29-21)23(24,25)26;1-33-21-7-2-16(3-8-21)14-31(19-6-5-18(10-27)28-12-19)20-13-30-32(15-20)22-9-4-17(11-29-22)23(24,25)26;1-25-15-5-2-12(3-6-15)8-21-14-10-23-24(11-14)16-7-4-13(9-22-16)17(18,19)20;16-15(17,18)9-1-4-13(21-5-9)25-8-11(7-22-25)23-10-2-3-12(20-6-10)14(19)24-26;10-7-4-15-16(5-7)8-2-1-6(3-14-8)9(11,12)13;10-9(11,12)6-1-2-8(14-3-6)16-5-7(13)4-15-16;10-9(11,12)7-2-3-8(13-6-7)15-5-1-4-14-15;7-5-2-1-4(3-11-5)6(8,9)10/h2-12,14,34H,13H2,1H3,(H2,27,31);2-9,11-13,15H,14H2,1H3;2-7,9-11,21H,8H2,1H3;1-8,23,26H,(H2,19,24);1-5H;1-5H,13H2;1-6H;1-3H
InChIKeyXNAJBGYYMUFXBC-UHFFFAOYSA-N
MW2604.90 g/mol
LogP25.51
Rot. Bonds25

About 2-(4-bromopyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-bromo-5-(trifluoromethyl)pyridine;N'-hydroxy-5-[(4-methoxyphenyl)methyl-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carboximidamide;N'-hydroxy-5-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carboximidamide;N-[(4-methoxyphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-amine;5-[(4-methoxyphenyl)methyl-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carbonitrile;2-pyrazol-1-yl-5-(trifluoromethyl)pyridine;1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-amine

2-(4-bromopyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-bromo-5-(trifluoromethyl)pyridine;N'-hydroxy-5-[(4-methoxyphenyl)methyl-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carboximidamide;N'-hydroxy-5-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carboximidamide;N-[(4-methoxyphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-amine;5-[(4-methoxyphenyl)methyl-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carbonitrile;2-pyrazol-1-yl-5-(trifluoromethyl)pyridine;1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-amine (PubChem CID 172921126) has the molecular formula C111H85Br2F24N35O5 and a molecular weight of 2604.90 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-bromo-5-(trifluoromethyl)pyridine;N'-hydroxy-5-[(4-methoxyphenyl)methyl-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carboximidamide;N'-hydroxy-5-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carboximidamide;N-[(4-methoxyphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-amine;5-[(4-methoxyphenyl)methyl-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carbonitrile;2-pyrazol-1-yl-5-(trifluoromethyl)pyridine;1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-amine.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-bromo-5-(trifluoromethyl)pyridine;N'-hydroxy-5-[(4-methoxyphenyl)methyl-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carboximidamide;N'-hydroxy-5-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carboximidamide;N-[(4-methoxyphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-amine;5-[(4-methoxyphenyl)methyl-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carbonitrile;2-pyrazol-1-yl-5-(trifluoromethyl)pyridine;1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-amine
PubChem CID172921126
Molecular FormulaC111H85Br2F24N35O5
Molecular Weight2604.90 g/mol
Exact Mass2601.55
IUPAC Name2-(4-bromopyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-bromo-5-(trifluoromethyl)pyridine;N'-hydroxy-5-[(4-methoxyphenyl)methyl-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carboximidamide;N'-hydroxy-5-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carboximidamide;N-[(4-methoxyphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-amine;5-[(4-methoxyphenyl)methyl-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carbonitrile;2-pyrazol-1-yl-5-(trifluoromethyl)pyridine;1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-amine
SMILESCOc1ccc(CN(c2ccc(/C(N)=N/O)nc2)c2cnn(-c3ccc(C(F)(F)F)cn3)c2)cc1.COc1ccc(CN(c2ccc(C#N)nc2)c2cnn(-c3ccc(C(F)(F)F)cn3)c2)cc1.COc1ccc(CNc2cnn(-c3ccc(C(F)(F)F)cn3)c2)cc1.FC(F)(F)c1ccc(-n2cc(Br)cn2)nc1.FC(F)(F)c1ccc(-n2cccn2)nc1.FC(F)(F)c1ccc(Br)nc1.N/C(=N\O)c1ccc(Nc2cnn(-c3ccc(C(F)(F)F)cn3)c2)cn1.Nc1cnn(-c2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C23H20F3N7O2.C23H17F3N6O.C17H15F3N4O.C15H12F3N7O.C9H5BrF3N3.C9H7F3N4.C9H6F3N3.C6H3BrF3N/c1-35-19-6-2-15(3-7-19)13-32(17-5-8-20(28-11-17)22(27)31-34)18-12-30-33(14-18)21-9-4-16(10-29-21)23(24,25)26;1-33-21-7-2-16(3-8-21)14-31(19-6-5-18(10-27)28-12-19)20-13-30-32(15-20)22-9-4-17(11-29-22)23(24,25)26;1-25-15-5-2-12(3-6-15)8-21-14-10-23-24(11-14)16-7-4-13(9-22-16)17(18,19)20;16-15(17,18)9-1-4-13(21-5-9)25-8-11(7-22-25)23-10-2-3-12(20-6-10)14(19)24-26;10-7-4-15-16(5-7)8-2-1-6(3-14-8)9(11,12)13;10-9(11,12)6-1-2-8(14-3-6)16-5-7(13)4-15-16;10-9(11,12)7-2-3-8(13-6-7)15-5-1-4-14-15;7-5-2-1-4(3-11-5)6(8,9)10/h2-12,14,34H,13H2,1H3,(H2,27,31);2-9,11-13,15H,14H2,1H3;2-7,9-11,21H,8H2,1H3;1-8,23,26H,(H2,19,24);1-5H;1-5H,13H2;1-6H;1-3H
InChIKeyXNAJBGYYMUFXBC-UHFFFAOYSA-N
XLogP25.51
TPSA491.79 Ų
H-Bond Donors7
H-Bond Acceptors38
Rotatable Bonds25
Heavy Atoms177
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002604.90
LogP ≤ 525.51
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-bromopyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-bromo-5-(trifluoromethyl)pyridine;N'-hydroxy-5-[(4-methoxyphenyl)methyl-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carboximidamide;N'-hydroxy-5-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carboximidamide;N-[(4-methoxyphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-amine;5-[(4-methoxyphenyl)methyl-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carbonitrile;2-pyrazol-1-yl-5-(trifluoromethyl)pyridine;1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-amine with MolForge

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Related Compounds

5-bromo-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;1-[(4-methoxyphenyl)methyl]-3-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazolo[5,4-b]pyridin-5-amine;5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-pyrrolo[3,4-b]pyridin-3-amine;4-[(4-methylpiperazin-1-yl)methyl]aniline
CID 157769185
1-[3-(benzimidazol-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;1-[7-(benzimidazol-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;1-[3-bromo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
CID 157801565
5-bromo-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;methane;1-[(4-methoxyphenyl)methyl]-3-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazolo[5,4-b]pyridin-5-amine;5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-pyrrolo[3,4-b]pyridin-3-amine;4-[(4-methylpiperazin-1-yl)methyl]aniline
CID 158288777
5-bromo-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-amine;N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-methyl-7H-pyrrolo[3,4-b]pyridin-3-amine
CID 159344945
5-bromo-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-amine;N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-methyl-7H-pyrrolo[3,4-b]pyridin-3-amine;methane
CID 161043750
4-[6-[4-[(2,6-Difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrrolidin-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine
CID 165012607
4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2,5-dihydro-1H-pyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2,5-dihydro-1H-pyrrol-3-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 165029608
4-[6-[4-[(2,6-Difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrrolidin-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile
CID 165031205
6-Bromo-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl 4-[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]piperazine-1-carboxylate;4,6-dibromopyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-piperazin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile)
CID 165032903
6-bromo-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;1-(5-bromo-2-pyridinyl)-4-[(6-methoxy-3-pyridinyl)methyl]piperazine;1-(5-bromo-2-pyridinyl)piperazine;4,6-dibromopyrazolo[1,5-a]pyridine-3-carbonitrile;bis(6-(3,6-dihydro-2H-pyran-4-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile);1-[(6-methoxy-3-pyridinyl)methyl]-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine
CID 165059586
6-Bromo-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl 3-[5-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;tert-butyl 3-[5-(3-cyano-6-morpholin-4-ylpyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4,6-dibromopyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[6-[(3,5-difluoro-4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile)
CID 165088190
6-Bromo-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile)
CID 165093826

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-bromo-5-(trifluoromethyl)pyridine;N'-hydroxy-5-[(4-methoxyphenyl)methyl-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carboximidamide;N'-hydroxy-5-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carboximidamide;N-[(4-methoxyphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-amine;5-[(4-methoxyphenyl)methyl-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carbonitrile;2-pyrazol-1-yl-5-(trifluoromethyl)pyridine;1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-amine?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-bromo-5-(trifluoromethyl)pyridine;N'-hydroxy-5-[(4-methoxyphenyl)methyl-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carboximidamide;N'-hydroxy-5-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carboximidamide;N-[(4-methoxyphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-amine;5-[(4-methoxyphenyl)methyl-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carbonitrile;2-pyrazol-1-yl-5-(trifluoromethyl)pyridine;1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-amine (CID 172921126) is 2-(4-bromopyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-bromo-5-(trifluoromethyl)pyridine;N'-hydroxy-5-[(4-methoxyphenyl)methyl-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carboximidamide;N'-hydroxy-5-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carboximidamide;N-[(4-methoxyphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-amine;5-[(4-methoxyphenyl)methyl-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carbonitrile;2-pyrazol-1-yl-5-(trifluoromethyl)pyridine;1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-amine.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-bromo-5-(trifluoromethyl)pyridine;N'-hydroxy-5-[(4-methoxyphenyl)methyl-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carboximidamide;N'-hydroxy-5-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carboximidamide;N-[(4-methoxyphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-amine;5-[(4-methoxyphenyl)methyl-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carbonitrile;2-pyrazol-1-yl-5-(trifluoromethyl)pyridine;1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-amine?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-bromo-5-(trifluoromethyl)pyridine;N'-hydroxy-5-[(4-methoxyphenyl)methyl-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carboximidamide;N'-hydroxy-5-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carboximidamide;N-[(4-methoxyphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-amine;5-[(4-methoxyphenyl)methyl-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carbonitrile;2-pyrazol-1-yl-5-(trifluoromethyl)pyridine;1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-amine is COc1ccc(CN(c2ccc(/C(N)=N/O)nc2)c2cnn(-c3ccc(C(F)(F)F)cn3)c2)cc1.COc1ccc(CN(c2ccc(C#N)nc2)c2cnn(-c3ccc(C(F)(F)F)cn3)c2)cc1.COc1ccc(CNc2cnn(-c3ccc(C(F)(F)F)cn3)c2)cc1.FC(F)(F)c1ccc(-n2cc(Br)cn2)nc1.FC(F)(F)c1ccc(-n2cccn2)nc1.FC(F)(F)c1ccc(Br)nc1.N/C(=N\O)c1ccc(Nc2cnn(-c3ccc(C(F)(F)F)cn3)c2)cn1.Nc1cnn(-c2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-bromo-5-(trifluoromethyl)pyridine;N'-hydroxy-5-[(4-methoxyphenyl)methyl-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carboximidamide;N'-hydroxy-5-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carboximidamide;N-[(4-methoxyphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-amine;5-[(4-methoxyphenyl)methyl-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carbonitrile;2-pyrazol-1-yl-5-(trifluoromethyl)pyridine;1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-amine?
The InChIKey is XNAJBGYYMUFXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N7O2.C23H17F3N6O.C17H15F3N4O.C15H12F3N7O.C9H5BrF3N3.C9H7F3N4.C9H6F3N3.C6H3BrF3N/c1-35-19-6-2-15(3-7-19)13-32(17-5-8-20(28-11-17)22(27)31-34)18-12-30-33(14-18)21-9-4-16(10-29-21)23(24,25)26;1-33-21-7-2-16(3-8-21)14-31(19-6-5-18(10-27)28-12-19)20-13-30-32(15-20)22-9-4-17(11-29-22)23(24,25)26;1-25-15-5-2-12(3-6-15)8-21-14-10-23-24(11-14)16-7-4-13(9-22-16)17(18,19)20;16-15(17,18)9-1-4-13(21-5-9)25-8-11(7-22-25)23-10-2-3-12(20-6-10)14(19)24-26;10-7-4-15-16(5-7)8-2-1-6(3-14-8)9(11,12)13;10-9(11,12)6-1-2-8(14-3-6)16-5-7(13)4-15-16;10-9(11,12)7-2-3-8(13-6-7)15-5-1-4-14-15;7-5-2-1-4(3-11-5)6(8,9)10/h2-12,14,34H,13H2,1H3,(H2,27,31);2-9,11-13,15H,14H2,1H3;2-7,9-11,21H,8H2,1H3;1-8,23,26H,(H2,19,24);1-5H;1-5H,13H2;1-6H;1-3H.
What are the key properties of 2-(4-bromopyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-bromo-5-(trifluoromethyl)pyridine;N'-hydroxy-5-[(4-methoxyphenyl)methyl-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carboximidamide;N'-hydroxy-5-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carboximidamide;N-[(4-methoxyphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-amine;5-[(4-methoxyphenyl)methyl-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carbonitrile;2-pyrazol-1-yl-5-(trifluoromethyl)pyridine;1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-amine?
2-(4-bromopyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-bromo-5-(trifluoromethyl)pyridine;N'-hydroxy-5-[(4-methoxyphenyl)methyl-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carboximidamide;N'-hydroxy-5-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carboximidamide;N-[(4-methoxyphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-amine;5-[(4-methoxyphenyl)methyl-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carbonitrile;2-pyrazol-1-yl-5-(trifluoromethyl)pyridine;1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-amine has a molecular weight of 2604.90 g/mol, XLogP of 25.51, 25 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-bromo-5-(trifluoromethyl)pyridine;N'-hydroxy-5-[(4-methoxyphenyl)methyl-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carboximidamide;N'-hydroxy-5-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carboximidamide;N-[(4-methoxyphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-amine;5-[(4-methoxyphenyl)methyl-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]amino]pyridine-2-carbonitrile;2-pyrazol-1-yl-5-(trifluoromethyl)pyridine;1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-amine is sourced from PubChem (CID 172921126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).