2-[[4-(cyclohexen-1-yl)-1-methylpyrazol-5-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;2-[(4-cyclohexyl-1-methylpyrazol-5-yl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;1-(4-cyclohexyl-1-methylpyrazol-5-yl)-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one

C70H68F9N15O6 — CID 157449159

IUPAC2-[[4-(cyclohexen-1-yl)-1-methylpyrazol-5-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;2-[(4-cyclohexyl-1-methylpyrazol-5-yl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;1-(4-cyclohexyl-1-methylpyrazol-5-yl)-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one
SMILESCn1ncc(C2=CCCCC2)c1Nc1ccc(Oc2ncccc2C(F)(F)F)cc1C(N)=O.Cn1ncc(C2CCCCC2)c1-n1cnc(=O)c2cc(Oc3ncccc3C(F)(F)F)ccc21.Cn1ncc(C2CCCCC2)c1Nc1ccc(Oc2ncccc2C(F)(F)F)cc1C(N)=O
InChIInChI=1S/C24H22F3N5O2.C23H24F3N5O2.C23H22F3N5O2/c1-31-23(18(13-30-31)15-6-3-2-4-7-15)32-14-29-21(33)17-12-16(9-10-20(17)32)34-22-19(24(25,26)27)8-5-11-28-22;2*1-31-21(17(13-29-31)14-6-3-2-4-7-14)30-19-10-9-15(12-16(19)20(27)32)33-22-18(23(24,25)26)8-5-11-28-22/h5,8-15H,2-4,6-7H2,1H3;5,8-14,30H,2-4,6-7H2,1H3,(H2,27,32);5-6,8-13,30H,2-4,7H2,1H3,(H2,27,32)
InChIKeyBSPBQOVELSULKU-UHFFFAOYSA-N
MW1386.39 g/mol
LogP16.32
Rot. Bonds16

About 2-[[4-(cyclohexen-1-yl)-1-methylpyrazol-5-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;2-[(4-cyclohexyl-1-methylpyrazol-5-yl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;1-(4-cyclohexyl-1-methylpyrazol-5-yl)-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one

2-[[4-(cyclohexen-1-yl)-1-methylpyrazol-5-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;2-[(4-cyclohexyl-1-methylpyrazol-5-yl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;1-(4-cyclohexyl-1-methylpyrazol-5-yl)-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one (PubChem CID 157449159) has the molecular formula C70H68F9N15O6 and a molecular weight of 1386.39 g/mol. Its IUPAC name is 2-[[4-(cyclohexen-1-yl)-1-methylpyrazol-5-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;2-[(4-cyclohexyl-1-methylpyrazol-5-yl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;1-(4-cyclohexyl-1-methylpyrazol-5-yl)-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one.

Molecular Properties

Compound Name2-[[4-(cyclohexen-1-yl)-1-methylpyrazol-5-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;2-[(4-cyclohexyl-1-methylpyrazol-5-yl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;1-(4-cyclohexyl-1-methylpyrazol-5-yl)-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one
PubChem CID157449159
Molecular FormulaC70H68F9N15O6
Molecular Weight1386.39 g/mol
Exact Mass1385.53
IUPAC Name2-[[4-(cyclohexen-1-yl)-1-methylpyrazol-5-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;2-[(4-cyclohexyl-1-methylpyrazol-5-yl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;1-(4-cyclohexyl-1-methylpyrazol-5-yl)-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one
SMILESCn1ncc(C2=CCCCC2)c1Nc1ccc(Oc2ncccc2C(F)(F)F)cc1C(N)=O.Cn1ncc(C2CCCCC2)c1-n1cnc(=O)c2cc(Oc3ncccc3C(F)(F)F)ccc21.Cn1ncc(C2CCCCC2)c1Nc1ccc(Oc2ncccc2C(F)(F)F)cc1C(N)=O
InChIInChI=1S/C24H22F3N5O2.C23H24F3N5O2.C23H22F3N5O2/c1-31-23(18(13-30-31)15-6-3-2-4-7-15)32-14-29-21(33)17-12-16(9-10-20(17)32)34-22-19(24(25,26)27)8-5-11-28-22;2*1-31-21(17(13-29-31)14-6-3-2-4-7-14)30-19-10-9-15(12-16(19)20(27)32)33-22-18(23(24,25)26)8-5-11-28-22/h5,8-15H,2-4,6-7H2,1H3;5,8-14,30H,2-4,6-7H2,1H3,(H2,27,32);5-6,8-13,30H,2-4,7H2,1H3,(H2,27,32)
InChIKeyBSPBQOVELSULKU-UHFFFAOYSA-N
XLogP16.32
TPSA264.95 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001386.39
LogP ≤ 516.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze 2-[[4-(cyclohexen-1-yl)-1-methylpyrazol-5-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;2-[(4-cyclohexyl-1-methylpyrazol-5-yl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;1-(4-cyclohexyl-1-methylpyrazol-5-yl)-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one with MolForge

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Related Compounds

2-[(4-Cyclohexyl-2-methylpyrazol-3-yl)amino]-5-[3-(trifluoromethyl)pyridin-2-yl]oxybenzamide
CID 58439298
2-[[4-(Cyclohexen-1-yl)-1-methylpyrazol-5-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 58439443
1-(4-Cyclohexyl-2-methylpyrazol-3-yl)-6-[3-(trifluoromethyl)pyridin-2-yl]oxyquinazolin-4-one
CID 58439650
6-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-methoxyphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-b]pyridin-4-one
CID 137133797
2-methyl-N-[5-(3-methyl-2-pyridinyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(5-methyl-2-pyridinyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide
CID 160170866
1-[(2R)-4-[6-[[2-(4-cyclopropyl-6-methyl-2-pyridinyl)acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide
CID 163531046
2-(4-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethylpyrimidine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methylpyrimidine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-(cyclopropanecarbonylamino)-5-[[2-(trifluoromethyl)phenyl]methoxy]benzoic acid;5-[3-methyl-5-(trifluoromethyl)phenoxy]-2-(propanoylamino)benzoic acid
CID 163929888
N-[14-amino-5-fluoro-12-oxo-15-(4-phenoxyphenyl)-9-oxa-11,15,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,13,16-hexaen-6-yl]prop-2-enamide;(E)-N-[3-amino-4-oxo-2-(4-phenoxyphenyl)-6,7-dihydro-5H-pyrazolo[4,3-k][1,7]phenanthrolin-8-yl]-4-(dimethylamino)but-2-enamide;(E)-N-[14-amino-12-oxo-15-(4-phenoxyphenyl)-11,15,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,13,16-hexaen-6-yl]-4-(dimethylamino)but-2-enamide
CID 157479388
N-ethyl-2-hydroxy-2-[(3S,22E)-5-oxo-20,25-dioxa-4,10,12,13-tetrazapentacyclo[24.2.2.115,19.06,11.012,16]hentriaconta-1(29),6(11),7,9,13,15,17,19(31),22,26(30),27-undecaen-3-yl]acetamide
CID 158468819
(E)-N-[14-amino-5-fluoro-12-oxo-15-(4-phenoxyphenyl)-11,15,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,13,16-hexaen-6-yl]-4-(dimethylamino)but-2-enamide;N-[14-amino-5-fluoro-12-oxo-15-(4-phenoxyphenyl)-11,15,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,13,16-hexaen-6-yl]prop-2-enamide;(E)-N-[3-amino-4-oxo-2-(4-phenoxyphenyl)-6,7-dihydro-5H-pyrazolo[4,3-k][1,7]phenanthrolin-8-yl]-4-(dimethylamino)but-2-enamide;(E)-N-[14-amino-12-oxo-15-(4-phenoxyphenyl)-11,15,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,13,16-hexaen-6-yl]-4-(dimethylamino)but-2-enamide
CID 160454249
6-Hydroxy-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one;6-(4-pyrazolo[1,5-a]pyrimidin-2-ylphenoxy)-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one;(4-pyrazolo[1,5-a]pyrimidin-2-ylphenyl)boronic acid;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 160492436
(E)-N-[14-amino-5-fluoro-12-oxo-15-(4-phenoxyphenyl)-9-oxa-11,15,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,13,16-hexaen-6-yl]-4-(dimethylamino)but-2-enamide;N-[14-amino-5-fluoro-12-oxo-15-(4-phenoxyphenyl)-9-oxa-11,15,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,13,16-hexaen-6-yl]prop-2-enamide;(E)-N-[14-amino-12-oxo-15-(4-phenoxyphenyl)-9-oxa-3,11,15,16-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,16-hexaen-6-yl]-4-(dimethylamino)but-2-enamide
CID 161116483

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclohexen-1-yl)-1-methylpyrazol-5-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;2-[(4-cyclohexyl-1-methylpyrazol-5-yl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;1-(4-cyclohexyl-1-methylpyrazol-5-yl)-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one?
The IUPAC name of 2-[[4-(cyclohexen-1-yl)-1-methylpyrazol-5-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;2-[(4-cyclohexyl-1-methylpyrazol-5-yl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;1-(4-cyclohexyl-1-methylpyrazol-5-yl)-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one (CID 157449159) is 2-[[4-(cyclohexen-1-yl)-1-methylpyrazol-5-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;2-[(4-cyclohexyl-1-methylpyrazol-5-yl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;1-(4-cyclohexyl-1-methylpyrazol-5-yl)-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one.
What is the SMILES notation for 2-[[4-(cyclohexen-1-yl)-1-methylpyrazol-5-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;2-[(4-cyclohexyl-1-methylpyrazol-5-yl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;1-(4-cyclohexyl-1-methylpyrazol-5-yl)-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one?
The canonical SMILES for 2-[[4-(cyclohexen-1-yl)-1-methylpyrazol-5-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;2-[(4-cyclohexyl-1-methylpyrazol-5-yl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;1-(4-cyclohexyl-1-methylpyrazol-5-yl)-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one is Cn1ncc(C2=CCCCC2)c1Nc1ccc(Oc2ncccc2C(F)(F)F)cc1C(N)=O.Cn1ncc(C2CCCCC2)c1-n1cnc(=O)c2cc(Oc3ncccc3C(F)(F)F)ccc21.Cn1ncc(C2CCCCC2)c1Nc1ccc(Oc2ncccc2C(F)(F)F)cc1C(N)=O.
What is the InChIKey of 2-[[4-(cyclohexen-1-yl)-1-methylpyrazol-5-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;2-[(4-cyclohexyl-1-methylpyrazol-5-yl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;1-(4-cyclohexyl-1-methylpyrazol-5-yl)-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one?
The InChIKey is BSPBQOVELSULKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O2.C23H24F3N5O2.C23H22F3N5O2/c1-31-23(18(13-30-31)15-6-3-2-4-7-15)32-14-29-21(33)17-12-16(9-10-20(17)32)34-22-19(24(25,26)27)8-5-11-28-22;2*1-31-21(17(13-29-31)14-6-3-2-4-7-14)30-19-10-9-15(12-16(19)20(27)32)33-22-18(23(24,25)26)8-5-11-28-22/h5,8-15H,2-4,6-7H2,1H3;5,8-14,30H,2-4,6-7H2,1H3,(H2,27,32);5-6,8-13,30H,2-4,7H2,1H3,(H2,27,32).
What are the key properties of 2-[[4-(cyclohexen-1-yl)-1-methylpyrazol-5-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;2-[(4-cyclohexyl-1-methylpyrazol-5-yl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;1-(4-cyclohexyl-1-methylpyrazol-5-yl)-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one?
2-[[4-(cyclohexen-1-yl)-1-methylpyrazol-5-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;2-[(4-cyclohexyl-1-methylpyrazol-5-yl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;1-(4-cyclohexyl-1-methylpyrazol-5-yl)-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one has a molecular weight of 1386.39 g/mol, XLogP of 16.32, 16 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclohexen-1-yl)-1-methylpyrazol-5-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;2-[(4-cyclohexyl-1-methylpyrazol-5-yl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;1-(4-cyclohexyl-1-methylpyrazol-5-yl)-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one is sourced from PubChem (CID 157449159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).