1-[4-(6-aminopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[bis[(4-methoxyphenyl)methyl]amino]pyridazin-3-yl]-2-fluorobutyl]triazole-4-carboxylic acid;1-[4-[6-[bis[(4-methoxyphenyl)methyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;methane;2-pyridin-2-ylacetic acid;[4-(trifluoromethyl)-2-pyridinyl]methanamine

C120H126F16N34O12 — CID 158020034

IUPAC1-[4-(6-aminopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[bis[(4-methoxyphenyl)methyl]amino]pyridazin-3-yl]-2-fluorobutyl]triazole-4-carboxylic acid;1-[4-[6-[bis[(4-methoxyphenyl)methyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;methane;2-pyridin-2-ylacetic acid;[4-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESC.C.COc1ccc(CN(Cc2ccc(OC)cc2)c2ccc(CCC(F)Cn3cc(C(=O)NCc4cc(C(F)(F)F)ccn4)nn3)nn2)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)c2ccc(CCC(F)Cn3cc(C(=O)O)nn3)nn2)cc1.NCc1cc(C(F)(F)F)ccn1.Nc1ccc(CCC(F)Cn2cc(C(=O)NCc3cc(C(F)(F)F)ccn3)nn2)nn1.O=C(Cc1ccccn1)Nc1ccc(CCC(F)Cn2cc(C(=O)NCc3cc(C(F)(F)F)ccn3)nn2)nn1.O=C(O)Cc1ccccn1
InChIInChI=1S/C34H34F4N8O3.C27H29FN6O4.C25H23F4N9O2.C18H18F4N8O.C7H7F3N2.C7H7NO2.2CH4/c1-48-29-10-3-23(4-11-29)19-45(20-24-5-12-30(49-2)13-6-24)32-14-9-27(41-43-32)8-7-26(35)21-46-22-31(42-44-46)33(47)40-18-28-17-25(15-16-39-28)34(36,37)38;1-37-23-10-3-19(4-11-23)15-33(16-20-5-12-24(38-2)13-6-20)26-14-9-22(29-31-26)8-7-21(28)17-34-18-25(27(35)36)30-32-34;26-17(4-5-18-6-7-22(36-34-18)33-23(39)12-19-3-1-2-9-30-19)14-38-15-21(35-37-38)24(40)32-13-20-11-16(8-10-31-20)25(27,28)29;19-12(1-2-13-3-4-16(23)28-26-13)9-30-10-15(27-29-30)17(31)25-8-14-7-11(5-6-24-14)18(20,21)22;8-7(9,10)5-1-2-12-6(3-5)4-11;9-7(10)5-6-3-1-2-4-8-6;;/h3-6,9-17,22,26H,7-8,18-21H2,1-2H3,(H,40,47);3-6,9-14,18,21H,7-8,15-17H2,1-2H3,(H,35,36);1-3,6-11,15,17H,4-5,12-14H2,(H,32,40)(H,33,36,39);3-7,10,12H,1-2,8-9H2,(H2,23,28)(H,25,31);1-3H,4,11H2;1-4H,5H2,(H,9,10);2*1H4
InChIKeyFFYHHIASKDXTGT-UHFFFAOYSA-N
MW2540.52 g/mol
LogP18.03
Rot. Bonds50

About 1-[4-(6-aminopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[bis[(4-methoxyphenyl)methyl]amino]pyridazin-3-yl]-2-fluorobutyl]triazole-4-carboxylic acid;1-[4-[6-[bis[(4-methoxyphenyl)methyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;methane;2-pyridin-2-ylacetic acid;[4-(trifluoromethyl)-2-pyridinyl]methanamine

1-[4-(6-aminopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[bis[(4-methoxyphenyl)methyl]amino]pyridazin-3-yl]-2-fluorobutyl]triazole-4-carboxylic acid;1-[4-[6-[bis[(4-methoxyphenyl)methyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;methane;2-pyridin-2-ylacetic acid;[4-(trifluoromethyl)-2-pyridinyl]methanamine (PubChem CID 158020034) has the molecular formula C120H126F16N34O12 and a molecular weight of 2540.52 g/mol. Its IUPAC name is 1-[4-(6-aminopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[bis[(4-methoxyphenyl)methyl]amino]pyridazin-3-yl]-2-fluorobutyl]triazole-4-carboxylic acid;1-[4-[6-[bis[(4-methoxyphenyl)methyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;methane;2-pyridin-2-ylacetic acid;[4-(trifluoromethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name1-[4-(6-aminopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[bis[(4-methoxyphenyl)methyl]amino]pyridazin-3-yl]-2-fluorobutyl]triazole-4-carboxylic acid;1-[4-[6-[bis[(4-methoxyphenyl)methyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;methane;2-pyridin-2-ylacetic acid;[4-(trifluoromethyl)-2-pyridinyl]methanamine
PubChem CID158020034
Molecular FormulaC120H126F16N34O12
Molecular Weight2540.52 g/mol
Exact Mass2539.00
IUPAC Name1-[4-(6-aminopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[bis[(4-methoxyphenyl)methyl]amino]pyridazin-3-yl]-2-fluorobutyl]triazole-4-carboxylic acid;1-[4-[6-[bis[(4-methoxyphenyl)methyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;methane;2-pyridin-2-ylacetic acid;[4-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESC.C.COc1ccc(CN(Cc2ccc(OC)cc2)c2ccc(CCC(F)Cn3cc(C(=O)NCc4cc(C(F)(F)F)ccn4)nn3)nn2)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)c2ccc(CCC(F)Cn3cc(C(=O)O)nn3)nn2)cc1.NCc1cc(C(F)(F)F)ccn1.Nc1ccc(CCC(F)Cn2cc(C(=O)NCc3cc(C(F)(F)F)ccn3)nn2)nn1.O=C(Cc1ccccn1)Nc1ccc(CCC(F)Cn2cc(C(=O)NCc3cc(C(F)(F)F)ccn3)nn2)nn1.O=C(O)Cc1ccccn1
InChIInChI=1S/C34H34F4N8O3.C27H29FN6O4.C25H23F4N9O2.C18H18F4N8O.C7H7F3N2.C7H7NO2.2CH4/c1-48-29-10-3-23(4-11-29)19-45(20-24-5-12-30(49-2)13-6-24)32-14-9-27(41-43-32)8-7-26(35)21-46-22-31(42-44-46)33(47)40-18-28-17-25(15-16-39-28)34(36,37)38;1-37-23-10-3-19(4-11-23)15-33(16-20-5-12-24(38-2)13-6-20)26-14-9-22(29-31-26)8-7-21(28)17-34-18-25(27(35)36)30-32-34;26-17(4-5-18-6-7-22(36-34-18)33-23(39)12-19-3-1-2-9-30-19)14-38-15-21(35-37-38)24(40)32-13-20-11-16(8-10-31-20)25(27,28)29;19-12(1-2-13-3-4-16(23)28-26-13)9-30-10-15(27-29-30)17(31)25-8-14-7-11(5-6-24-14)18(20,21)22;8-7(9,10)5-1-2-12-6(3-5)4-11;9-7(10)5-6-3-1-2-4-8-6;;/h3-6,9-17,22,26H,7-8,18-21H2,1-2H3,(H,40,47);3-6,9-14,18,21H,7-8,15-17H2,1-2H3,(H,35,36);1-3,6-11,15,17H,4-5,12-14H2,(H,32,40)(H,33,36,39);3-7,10,12H,1-2,8-9H2,(H2,23,28)(H,25,31);1-3H,4,11H2;1-4H,5H2,(H,9,10);2*1H4
InChIKeyFFYHHIASKDXTGT-UHFFFAOYSA-N
XLogP18.03
TPSA589.74 Ų
H-Bond Donors8
H-Bond Acceptors40
Rotatable Bonds50
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002540.52
LogP ≤ 518.03
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1040

Analyze 1-[4-(6-aminopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[bis[(4-methoxyphenyl)methyl]amino]pyridazin-3-yl]-2-fluorobutyl]triazole-4-carboxylic acid;1-[4-[6-[bis[(4-methoxyphenyl)methyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;methane;2-pyridin-2-ylacetic acid;[4-(trifluoromethyl)-2-pyridinyl]methanamine with MolForge

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Related Compounds

N-methyl-1-(4-(6-(2-(5-(3-(trifluoromethoxy)phenyl)pyridin-3-yl)acetamido)pyridazin-3-yl)butyl)-1H-1,2,3-triazole-4-carboxamide 2,2,2-trifluoroacetate
CID 118627340
1-[2-fluoro-4-[6-[[2-[4-[3-[3-[4-[2-[[6-[3-fluoro-4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]-3-oxopiperazin-1-yl]-5-(trifluoromethoxy)phenyl]-5-(trifluoromethoxy)phenyl]pyridin-2-yl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide
CID 132093820
1-[(2R)-4-[6-[[2-[4-[2-[[[1-[4-[6-[[2-[4-(difluoromethoxy)pyridin-2-yl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]triazole-4-carbonyl]amino]methyl]cyclopropyl]pyridin-2-yl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide
CID 138574670
1-[4-[4-[[2-[5-[2-[2-[[1-[2-fluoro-4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]triazol-4-yl]amino]-2-oxoethyl]pyridin-4-yl]pyridin-2-yl]acetyl]amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 138574717
1-[4-[6-[[2-[4-[2-[[[1-[4-[6-[[2-[4-(3,3-difluorocyclobutyl)oxypyridin-2-yl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]triazole-4-carbonyl]amino]methyl]oxan-4-yl]pyridin-2-yl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide
CID 146527241
1-[4-[6-[[2-[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[[2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-2-fluoro-4-[6-[[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2S)-2-fluoro-4-[6-[[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[[2-[4-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide
CID 157113268
1-[4-(6-aminopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[bis[(4-methoxyphenyl)methyl]amino]pyridazin-3-yl]-2-fluorobutyl]triazole-4-carboxylic acid;1-[4-[6-[bis[(4-methoxyphenyl)methyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;2-pyridin-2-ylacetic acid;[4-(trifluoromethyl)-2-pyridinyl]methanamine
CID 157151144
tert-butyl 4-[3-[2-[[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]phenyl]piperidine-1-carboxylate;N-methyl-1-[4-[6-[[2-[4-(oxan-4-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(2-oxopiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(4-phenylpiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[4-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide
CID 157244886
1-(1-benzoylpiperidin-3-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-(1-prop-1-en-2-ylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-methoxyphenyl)methyl]-1-(1-prop-1-en-2-ylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-[1-(1-phenylethenyl)pyrrolidin-3-yl]-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 157254619
2,2-dimethylpropyl (2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazine-1-carboxylate;1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidine-2-carboxamide;3-[1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidin-4-yl]-5-phenyl-1H-imidazol-2-one;phenyl (2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazine-1-carboxylate
CID 157288169
1-[4-[6-[[2-(4-cyclobutyloxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[3-[4-(oxan-4-yl)-2-pyridinyl]-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-2-fluoro-4-[6-[2-oxo-3-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2S)-2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide
CID 157334419
5-(4-Ethoxyphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;5-(4-ethylphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(5-methyl-2-pyridinyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,3-dione
CID 157340380

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-aminopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[bis[(4-methoxyphenyl)methyl]amino]pyridazin-3-yl]-2-fluorobutyl]triazole-4-carboxylic acid;1-[4-[6-[bis[(4-methoxyphenyl)methyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;methane;2-pyridin-2-ylacetic acid;[4-(trifluoromethyl)-2-pyridinyl]methanamine?
The IUPAC name of 1-[4-(6-aminopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[bis[(4-methoxyphenyl)methyl]amino]pyridazin-3-yl]-2-fluorobutyl]triazole-4-carboxylic acid;1-[4-[6-[bis[(4-methoxyphenyl)methyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;methane;2-pyridin-2-ylacetic acid;[4-(trifluoromethyl)-2-pyridinyl]methanamine (CID 158020034) is 1-[4-(6-aminopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[bis[(4-methoxyphenyl)methyl]amino]pyridazin-3-yl]-2-fluorobutyl]triazole-4-carboxylic acid;1-[4-[6-[bis[(4-methoxyphenyl)methyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;methane;2-pyridin-2-ylacetic acid;[4-(trifluoromethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for 1-[4-(6-aminopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[bis[(4-methoxyphenyl)methyl]amino]pyridazin-3-yl]-2-fluorobutyl]triazole-4-carboxylic acid;1-[4-[6-[bis[(4-methoxyphenyl)methyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;methane;2-pyridin-2-ylacetic acid;[4-(trifluoromethyl)-2-pyridinyl]methanamine?
The canonical SMILES for 1-[4-(6-aminopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[bis[(4-methoxyphenyl)methyl]amino]pyridazin-3-yl]-2-fluorobutyl]triazole-4-carboxylic acid;1-[4-[6-[bis[(4-methoxyphenyl)methyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;methane;2-pyridin-2-ylacetic acid;[4-(trifluoromethyl)-2-pyridinyl]methanamine is C.C.COc1ccc(CN(Cc2ccc(OC)cc2)c2ccc(CCC(F)Cn3cc(C(=O)NCc4cc(C(F)(F)F)ccn4)nn3)nn2)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)c2ccc(CCC(F)Cn3cc(C(=O)O)nn3)nn2)cc1.NCc1cc(C(F)(F)F)ccn1.Nc1ccc(CCC(F)Cn2cc(C(=O)NCc3cc(C(F)(F)F)ccn3)nn2)nn1.O=C(Cc1ccccn1)Nc1ccc(CCC(F)Cn2cc(C(=O)NCc3cc(C(F)(F)F)ccn3)nn2)nn1.O=C(O)Cc1ccccn1.
What is the InChIKey of 1-[4-(6-aminopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[bis[(4-methoxyphenyl)methyl]amino]pyridazin-3-yl]-2-fluorobutyl]triazole-4-carboxylic acid;1-[4-[6-[bis[(4-methoxyphenyl)methyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;methane;2-pyridin-2-ylacetic acid;[4-(trifluoromethyl)-2-pyridinyl]methanamine?
The InChIKey is FFYHHIASKDXTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34F4N8O3.C27H29FN6O4.C25H23F4N9O2.C18H18F4N8O.C7H7F3N2.C7H7NO2.2CH4/c1-48-29-10-3-23(4-11-29)19-45(20-24-5-12-30(49-2)13-6-24)32-14-9-27(41-43-32)8-7-26(35)21-46-22-31(42-44-46)33(47)40-18-28-17-25(15-16-39-28)34(36,37)38;1-37-23-10-3-19(4-11-23)15-33(16-20-5-12-24(38-2)13-6-20)26-14-9-22(29-31-26)8-7-21(28)17-34-18-25(27(35)36)30-32-34;26-17(4-5-18-6-7-22(36-34-18)33-23(39)12-19-3-1-2-9-30-19)14-38-15-21(35-37-38)24(40)32-13-20-11-16(8-10-31-20)25(27,28)29;19-12(1-2-13-3-4-16(23)28-26-13)9-30-10-15(27-29-30)17(31)25-8-14-7-11(5-6-24-14)18(20,21)22;8-7(9,10)5-1-2-12-6(3-5)4-11;9-7(10)5-6-3-1-2-4-8-6;;/h3-6,9-17,22,26H,7-8,18-21H2,1-2H3,(H,40,47);3-6,9-14,18,21H,7-8,15-17H2,1-2H3,(H,35,36);1-3,6-11,15,17H,4-5,12-14H2,(H,32,40)(H,33,36,39);3-7,10,12H,1-2,8-9H2,(H2,23,28)(H,25,31);1-3H,4,11H2;1-4H,5H2,(H,9,10);2*1H4.
What are the key properties of 1-[4-(6-aminopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[bis[(4-methoxyphenyl)methyl]amino]pyridazin-3-yl]-2-fluorobutyl]triazole-4-carboxylic acid;1-[4-[6-[bis[(4-methoxyphenyl)methyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;methane;2-pyridin-2-ylacetic acid;[4-(trifluoromethyl)-2-pyridinyl]methanamine?
1-[4-(6-aminopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[bis[(4-methoxyphenyl)methyl]amino]pyridazin-3-yl]-2-fluorobutyl]triazole-4-carboxylic acid;1-[4-[6-[bis[(4-methoxyphenyl)methyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;methane;2-pyridin-2-ylacetic acid;[4-(trifluoromethyl)-2-pyridinyl]methanamine has a molecular weight of 2540.52 g/mol, XLogP of 18.03, 50 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-aminopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[bis[(4-methoxyphenyl)methyl]amino]pyridazin-3-yl]-2-fluorobutyl]triazole-4-carboxylic acid;1-[4-[6-[bis[(4-methoxyphenyl)methyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;methane;2-pyridin-2-ylacetic acid;[4-(trifluoromethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 158020034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).