3-[[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]carbamoyl]benzoic acid;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methoxyacetamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]prop-2-enamide;2-(2-chlorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone;2-(2,6-difluorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone

C117H99ClF23N31O13 — CID 160692167

IUPAC3-[[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]carbamoyl]benzoic acid;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methoxyacetamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]prop-2-enamide;2-(2-chlorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone;2-(2,6-difluorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone
SMILESC=CC(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(N)n1.COCC(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(N)n1.COc1cc(-c2cc(C(F)(F)F)nn2C)cnc1C(=O)Cc1c(F)cccc1F.COc1cc(-c2cc(C(F)(F)F)nn2C)cnc1C(=O)Cc1ccccc1Cl.Cc1ccc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(N)n2)cc1.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2cccc(C(=O)O)c2)nc1N.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccccc2O)nc1N
InChIInChI=1S/C19H15ClF3N3O2.C19H14F5N3O2.C18H14F3N5O3.C18H16F3N5O.C17H14F3N5O2.C13H14F3N5O2.C13H12F3N5O/c1-26-14(9-17(25-26)19(21,22)23)12-8-16(28-2)18(24-10-12)15(27)7-11-5-3-4-6-13(11)20;1-27-14(8-17(26-27)19(22,23)24)10-6-16(29-2)18(25-9-10)15(28)7-11-12(20)4-3-5-13(11)21;1-26-12(8-13(25-26)18(19,20)21)11-5-6-14(23-15(11)22)24-16(27)9-3-2-4-10(7-9)17(28)29;1-10-3-5-11(6-4-10)17(27)24-15-8-7-12(16(22)23-15)13-9-14(18(19,20)21)25-26(13)2;1-25-11(8-13(24-25)17(18,19)20)9-6-7-14(22-15(9)21)23-16(27)10-4-2-3-5-12(10)26;1-21-8(5-9(20-21)13(14,15)16)7-3-4-10(19-12(7)17)18-11(22)6-23-2;1-3-11(22)18-10-5-4-7(12(17)19-10)8-6-9(13(14,15)16)20-21(8)2/h3-6,8-10H,7H2,1-2H3;3-6,8-9H,7H2,1-2H3;2-8H,1H3,(H,28,29)(H3,22,23,24,27);3-9H,1-2H3,(H3,22,23,24,27);2-8,26H,1H3,(H3,21,22,23,27);3-5H,6H2,1-2H3,(H3,17,18,19,22);3-6H,1H2,2H3,(H3,17,18,19,22)
InChIKeyRPNUKENHEWFWBJ-UHFFFAOYSA-N
MW2619.69 g/mol
LogP22.40
Rot. Bonds27

About 3-[[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]carbamoyl]benzoic acid;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methoxyacetamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]prop-2-enamide;2-(2-chlorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone;2-(2,6-difluorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone

3-[[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]carbamoyl]benzoic acid;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methoxyacetamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]prop-2-enamide;2-(2-chlorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone;2-(2,6-difluorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone (PubChem CID 160692167) has the molecular formula C117H99ClF23N31O13 and a molecular weight of 2619.69 g/mol. Its IUPAC name is 3-[[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]carbamoyl]benzoic acid;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methoxyacetamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]prop-2-enamide;2-(2-chlorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone;2-(2,6-difluorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name3-[[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]carbamoyl]benzoic acid;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methoxyacetamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]prop-2-enamide;2-(2-chlorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone;2-(2,6-difluorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone
PubChem CID160692167
Molecular FormulaC117H99ClF23N31O13
Molecular Weight2619.69 g/mol
Exact Mass2617.74
IUPAC Name3-[[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]carbamoyl]benzoic acid;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methoxyacetamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]prop-2-enamide;2-(2-chlorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone;2-(2,6-difluorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone
SMILESC=CC(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(N)n1.COCC(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(N)n1.COc1cc(-c2cc(C(F)(F)F)nn2C)cnc1C(=O)Cc1c(F)cccc1F.COc1cc(-c2cc(C(F)(F)F)nn2C)cnc1C(=O)Cc1ccccc1Cl.Cc1ccc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(N)n2)cc1.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2cccc(C(=O)O)c2)nc1N.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccccc2O)nc1N
InChIInChI=1S/C19H15ClF3N3O2.C19H14F5N3O2.C18H14F3N5O3.C18H16F3N5O.C17H14F3N5O2.C13H14F3N5O2.C13H12F3N5O/c1-26-14(9-17(25-26)19(21,22)23)12-8-16(28-2)18(24-10-12)15(27)7-11-5-3-4-6-13(11)20;1-27-14(8-17(26-27)19(22,23)24)10-6-16(29-2)18(25-9-10)15(28)7-11-12(20)4-3-5-13(11)21;1-26-12(8-13(25-26)18(19,20)21)11-5-6-14(23-15(11)22)24-16(27)9-3-2-4-10(7-9)17(28)29;1-10-3-5-11(6-4-10)17(27)24-15-8-7-12(16(22)23-15)13-9-14(18(19,20)21)25-26(13)2;1-25-11(8-13(24-25)17(18,19)20)9-6-7-14(22-15(9)21)23-16(27)10-4-2-3-5-12(10)26;1-21-8(5-9(20-21)13(14,15)16)7-3-4-10(19-12(7)17)18-11(22)6-23-2;1-3-11(22)18-10-5-4-7(12(17)19-10)8-6-9(13(14,15)16)20-21(8)2/h3-6,8-10H,7H2,1-2H3;3-6,8-9H,7H2,1-2H3;2-8H,1H3,(H,28,29)(H3,22,23,24,27);3-9H,1-2H3,(H3,22,23,24,27);2-8,26H,1H3,(H3,21,22,23,27);3-5H,6H2,1-2H3,(H3,17,18,19,22);3-6H,1H2,2H3,(H3,17,18,19,22)
InChIKeyRPNUKENHEWFWBJ-UHFFFAOYSA-N
XLogP22.40
TPSA609.93 Ų
H-Bond Donors12
H-Bond Acceptors38
Rotatable Bonds27
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002619.69
LogP ≤ 522.40
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]carbamoyl]benzoic acid;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methoxyacetamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]prop-2-enamide;2-(2-chlorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone;2-(2,6-difluorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(1-hydroxyethenyl)benzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]prop-2-enamide;2-(2-chlorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone;2-(2,6-difluorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone
CID 159513649
N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methoxybenzamide
CID 58487164
N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide
CID 58486832
N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(dihydroxyamino)benzamide
CID 153188718
N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,4,5-trifluoro-3-methoxybenzamide
CID 88885243
2-chloro-N-[2-methoxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide
CID 67468607
N-[6-amino-5-(3-bromo-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-chloro-2-fluoro-3-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-formyl-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxynaphthalen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-methoxy-5-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-bromobenzamide
CID 158382393
N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide
CID 58487388
N-[6-formamido-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide
CID 58487174
6-N-[(2-fluorophenyl)methyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2,6-diamine
CID 71105505
2-chloro-N-[5-(3-cyano-1-methylpyrazol-5-yl)-2-pyridinyl]benzamide;N-[5-(3-cyano-1-methylpyrazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(3-cyano-1-methylpyrazol-5-yl)-2-pyridinyl]-2-fluorobenzamide;2,6-difluoro-N-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide
CID 158060418
N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide
CID 58487028

Frequently Asked Questions

What is the IUPAC name of 3-[[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]carbamoyl]benzoic acid;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methoxyacetamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]prop-2-enamide;2-(2-chlorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone;2-(2,6-difluorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone?
The IUPAC name of 3-[[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]carbamoyl]benzoic acid;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methoxyacetamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]prop-2-enamide;2-(2-chlorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone;2-(2,6-difluorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone (CID 160692167) is 3-[[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]carbamoyl]benzoic acid;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methoxyacetamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]prop-2-enamide;2-(2-chlorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone;2-(2,6-difluorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone.
What is the SMILES notation for 3-[[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]carbamoyl]benzoic acid;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methoxyacetamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]prop-2-enamide;2-(2-chlorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone;2-(2,6-difluorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone?
The canonical SMILES for 3-[[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]carbamoyl]benzoic acid;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methoxyacetamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]prop-2-enamide;2-(2-chlorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone;2-(2,6-difluorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone is C=CC(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(N)n1.COCC(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(N)n1.COc1cc(-c2cc(C(F)(F)F)nn2C)cnc1C(=O)Cc1c(F)cccc1F.COc1cc(-c2cc(C(F)(F)F)nn2C)cnc1C(=O)Cc1ccccc1Cl.Cc1ccc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(N)n2)cc1.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2cccc(C(=O)O)c2)nc1N.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccccc2O)nc1N.
What is the InChIKey of 3-[[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]carbamoyl]benzoic acid;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methoxyacetamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]prop-2-enamide;2-(2-chlorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone;2-(2,6-difluorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone?
The InChIKey is RPNUKENHEWFWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3O2.C19H14F5N3O2.C18H14F3N5O3.C18H16F3N5O.C17H14F3N5O2.C13H14F3N5O2.C13H12F3N5O/c1-26-14(9-17(25-26)19(21,22)23)12-8-16(28-2)18(24-10-12)15(27)7-11-5-3-4-6-13(11)20;1-27-14(8-17(26-27)19(22,23)24)10-6-16(29-2)18(25-9-10)15(28)7-11-12(20)4-3-5-13(11)21;1-26-12(8-13(25-26)18(19,20)21)11-5-6-14(23-15(11)22)24-16(27)9-3-2-4-10(7-9)17(28)29;1-10-3-5-11(6-4-10)17(27)24-15-8-7-12(16(22)23-15)13-9-14(18(19,20)21)25-26(13)2;1-25-11(8-13(24-25)17(18,19)20)9-6-7-14(22-15(9)21)23-16(27)10-4-2-3-5-12(10)26;1-21-8(5-9(20-21)13(14,15)16)7-3-4-10(19-12(7)17)18-11(22)6-23-2;1-3-11(22)18-10-5-4-7(12(17)19-10)8-6-9(13(14,15)16)20-21(8)2/h3-6,8-10H,7H2,1-2H3;3-6,8-9H,7H2,1-2H3;2-8H,1H3,(H,28,29)(H3,22,23,24,27);3-9H,1-2H3,(H3,22,23,24,27);2-8,26H,1H3,(H3,21,22,23,27);3-5H,6H2,1-2H3,(H3,17,18,19,22);3-6H,1H2,2H3,(H3,17,18,19,22).
What are the key properties of 3-[[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]carbamoyl]benzoic acid;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methoxyacetamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]prop-2-enamide;2-(2-chlorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone;2-(2,6-difluorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone?
3-[[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]carbamoyl]benzoic acid;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methoxyacetamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]prop-2-enamide;2-(2-chlorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone;2-(2,6-difluorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone has a molecular weight of 2619.69 g/mol, XLogP of 22.40, 27 rotatable bonds, 12 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]carbamoyl]benzoic acid;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methoxyacetamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]prop-2-enamide;2-(2-chlorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone;2-(2,6-difluorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone is sourced from PubChem (CID 160692167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).