1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-hydroxyphenyl)ethanone;tris(1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methylphenyl)ethanone);methane

C117H117ClF20N24O7 — CID 161146758

IUPAC1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-hydroxyphenyl)ethanone;tris(1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methylphenyl)ethanone);methane
SMILESC.C.C.C.C.C.Cc1cccc(CC(=O)c2ccc(-c3cc(C(F)(F)F)nn3C)c(N)n2)c1.Cc1cccc(CC(=O)c2ccc(-c3cc(C(F)(F)F)nn3C)c(N)n2)c1.Cc1cccc(CC(=O)c2ccc(-c3cc(C(F)(F)F)nn3C)c(N)n2)c1.Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Cc2c(F)cccc2F)nc1N.Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Cc2ccccc2Cl)nc1N.Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Cc2ccccc2O)nc1N
InChIInChI=1S/3C19H17F3N4O.C18H14ClF3N4O.C18H13F5N4O.C18H15F3N4O2.6CH4/c3*1-11-4-3-5-12(8-11)9-16(27)14-7-6-13(18(23)24-14)15-10-17(19(20,21)22)25-26(15)2;1-26-14(9-16(25-26)18(20,21)22)11-6-7-13(24-17(11)23)15(27)8-10-4-2-3-5-12(10)19;1-27-14(8-16(26-27)18(21,22)23)9-5-6-13(25-17(9)24)15(28)7-10-11(19)3-2-4-12(10)20;1-25-13(9-16(24-25)18(19,20)21)11-6-7-12(23-17(11)22)15(27)8-10-4-2-3-5-14(10)26;;;;;;/h3*3-8,10H,9H2,1-2H3,(H2,23,24);2-7,9H,8H2,1H3,(H2,23,24);2-6,8H,7H2,1H3,(H2,24,25);2-7,9,26H,8H2,1H3,(H2,22,23);6*1H4
InChIKeyUODRLWOOSUAVKQ-UHFFFAOYSA-N
MW2386.80 g/mol
LogP26.43
Rot. Bonds24

About 1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-hydroxyphenyl)ethanone;tris(1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methylphenyl)ethanone);methane

1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-hydroxyphenyl)ethanone;tris(1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methylphenyl)ethanone);methane (PubChem CID 161146758) has the molecular formula C117H117ClF20N24O7 and a molecular weight of 2386.80 g/mol. Its IUPAC name is 1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-hydroxyphenyl)ethanone;tris(1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methylphenyl)ethanone);methane.

Molecular Properties

Compound Name1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-hydroxyphenyl)ethanone;tris(1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methylphenyl)ethanone);methane
PubChem CID161146758
Molecular FormulaC117H117ClF20N24O7
Molecular Weight2386.80 g/mol
Exact Mass2384.89
IUPAC Name1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-hydroxyphenyl)ethanone;tris(1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methylphenyl)ethanone);methane
SMILESC.C.C.C.C.C.Cc1cccc(CC(=O)c2ccc(-c3cc(C(F)(F)F)nn3C)c(N)n2)c1.Cc1cccc(CC(=O)c2ccc(-c3cc(C(F)(F)F)nn3C)c(N)n2)c1.Cc1cccc(CC(=O)c2ccc(-c3cc(C(F)(F)F)nn3C)c(N)n2)c1.Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Cc2c(F)cccc2F)nc1N.Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Cc2ccccc2Cl)nc1N.Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Cc2ccccc2O)nc1N
InChIInChI=1S/3C19H17F3N4O.C18H14ClF3N4O.C18H13F5N4O.C18H15F3N4O2.6CH4/c3*1-11-4-3-5-12(8-11)9-16(27)14-7-6-13(18(23)24-14)15-10-17(19(20,21)22)25-26(15)2;1-26-14(9-16(25-26)18(20,21)22)11-6-7-13(24-17(11)23)15(27)8-10-4-2-3-5-12(10)19;1-27-14(8-16(26-27)18(21,22)23)9-5-6-13(25-17(9)24)15(28)7-10-11(19)3-2-4-12(10)20;1-25-13(9-16(24-25)18(19,20)21)11-6-7-12(23-17(11)22)15(27)8-10-4-2-3-5-14(10)26;;;;;;/h3*3-8,10H,9H2,1-2H3,(H2,23,24);2-7,9H,8H2,1H3,(H2,23,24);2-6,8H,7H2,1H3,(H2,24,25);2-7,9,26H,8H2,1H3,(H2,22,23);6*1H4
InChIKeyUODRLWOOSUAVKQ-UHFFFAOYSA-N
XLogP26.43
TPSA463.03 Ų
H-Bond Donors7
H-Bond Acceptors31
Rotatable Bonds24
Heavy Atoms169
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002386.80
LogP ≤ 526.43
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1031

Analyze 1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-hydroxyphenyl)ethanone;tris(1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methylphenyl)ethanone);methane with MolForge

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Related Compounds

1-[6-Amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-fluoro-5-methylphenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-methoxyphenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methoxyphenyl)ethanone;1-[6-amino-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(4-methylphenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(4-methylphenyl)ethanone
CID 157831027
1-[6-Amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-fluoro-5-methylphenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-hydroxyphenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-methoxyphenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methoxyphenyl)ethanone;1-[6-amino-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(4-methylphenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(4-methylphenyl)ethanone
CID 157896914
1-[6-Amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-fluoro-5-methylphenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-methoxyphenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methoxyphenyl)ethanone;1-[6-amino-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(4-methylphenyl)ethanone;bis(1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(4-methylphenyl)ethanone);methane
CID 157956909
6-amino-N-(4-methylphenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-fluoro-5-methylphenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-hydroxyphenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-methoxyphenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methoxyphenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(4-methylphenyl)ethanone
CID 159230307
N-[6-amino-5-(3-carbamoylphenyl)-2-pyridinyl]-3-methylbenzamide;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-hydroxyphenyl)ethanone;tris(1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methylphenyl)ethanone);1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(4-methylphenyl)ethanone
CID 159626368
N-[6-amino-5-(3-carbamoylphenyl)-2-pyridinyl]-3-methylbenzamide;N-[6-amino-5-(2,3-dimethoxyphenyl)-2-pyridinyl]-3-methylbenzamide;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-chlorophenyl)ethanone;tris(1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methylphenyl)ethanone);1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(4-methylphenyl)ethanone
CID 160222850

Frequently Asked Questions

What is the IUPAC name of 1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-hydroxyphenyl)ethanone;tris(1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methylphenyl)ethanone);methane?
The IUPAC name of 1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-hydroxyphenyl)ethanone;tris(1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methylphenyl)ethanone);methane (CID 161146758) is 1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-hydroxyphenyl)ethanone;tris(1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methylphenyl)ethanone);methane.
What is the SMILES notation for 1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-hydroxyphenyl)ethanone;tris(1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methylphenyl)ethanone);methane?
The canonical SMILES for 1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-hydroxyphenyl)ethanone;tris(1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methylphenyl)ethanone);methane is C.C.C.C.C.C.Cc1cccc(CC(=O)c2ccc(-c3cc(C(F)(F)F)nn3C)c(N)n2)c1.Cc1cccc(CC(=O)c2ccc(-c3cc(C(F)(F)F)nn3C)c(N)n2)c1.Cc1cccc(CC(=O)c2ccc(-c3cc(C(F)(F)F)nn3C)c(N)n2)c1.Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Cc2c(F)cccc2F)nc1N.Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Cc2ccccc2Cl)nc1N.Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Cc2ccccc2O)nc1N.
What is the InChIKey of 1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-hydroxyphenyl)ethanone;tris(1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methylphenyl)ethanone);methane?
The InChIKey is UODRLWOOSUAVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C19H17F3N4O.C18H14ClF3N4O.C18H13F5N4O.C18H15F3N4O2.6CH4/c3*1-11-4-3-5-12(8-11)9-16(27)14-7-6-13(18(23)24-14)15-10-17(19(20,21)22)25-26(15)2;1-26-14(9-16(25-26)18(20,21)22)11-6-7-13(24-17(11)23)15(27)8-10-4-2-3-5-12(10)19;1-27-14(8-16(26-27)18(21,22)23)9-5-6-13(25-17(9)24)15(28)7-10-11(19)3-2-4-12(10)20;1-25-13(9-16(24-25)18(19,20)21)11-6-7-12(23-17(11)22)15(27)8-10-4-2-3-5-14(10)26;;;;;;/h3*3-8,10H,9H2,1-2H3,(H2,23,24);2-7,9H,8H2,1H3,(H2,23,24);2-6,8H,7H2,1H3,(H2,24,25);2-7,9,26H,8H2,1H3,(H2,22,23);6*1H4.
What are the key properties of 1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-hydroxyphenyl)ethanone;tris(1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methylphenyl)ethanone);methane?
1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-hydroxyphenyl)ethanone;tris(1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methylphenyl)ethanone);methane has a molecular weight of 2386.80 g/mol, XLogP of 26.43, 24 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-chlorophenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-hydroxyphenyl)ethanone;tris(1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methylphenyl)ethanone);methane is sourced from PubChem (CID 161146758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).