N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(1-methoxyethenyl)benzamide;2-chloro-N-[3-hydroxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[3-hydroxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[3-hydroxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide

C107H84ClF22N27O11 — CID 161078398

About N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(1-methoxyethenyl)benzamide;2-chloro-N-[3-hydroxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[3-hydroxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[3-hydroxy-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]-2-fluorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(1-methoxyethenyl)benzamide;2-chloro-N-[3-hydroxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[3-hydroxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[3-hydroxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide (PubChem CID 161078398) has the molecular formula C107H84ClF22N27O11 and a molecular weight of 2377.44 g/mol. Its IUPAC name is N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(1-methoxyethenyl)benzamide;2-chloro-N-[3-hydroxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[3-hydroxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[3-hydroxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide.

Molecular Properties

• Compound Name: N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(1-methoxyethenyl)benzamide;2-chloro-N-[3-hydroxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[3-hydroxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[3-hydroxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide
• PubChem CID: 161078398
• Molecular Formula: C107H84ClF22N27O11
• Molecular Weight: 2377.44 g/mol
• Exact Mass: 2375.62
• IUPAC Name: N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(1-methoxyethenyl)benzamide;2-chloro-N-[3-hydroxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[3-hydroxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[3-hydroxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide
• SMILES: C=C(OC)c1cccc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(N)n2)c1.COc1ccccc1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(N)n1.Cc1ccc(C(=O)Nc2ncc(-c3cc(C(F)(F)F)nn3C)cc2O)c(F)c1.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccccc2F)nc1N.Cn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2c(F)cccc2F)c(O)c1.Cn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2ccccc2Cl)c(O)c1
• InChI: InChI=1S/C20H18F3N5O2.C18H14F4N4O2.C18H16F3N5O2.C17H12ClF3N4O2.C17H11F5N4O2.C17H13F4N5O/c1-11(30-3)12-5-4-6-13(9-12)19(29)26-17-8-7-14(18(24)25-17)15-10-16(20(21,22)23)27-28(15)2;1-9-3-4-11(12(19)5-9)17(28)24-16-14(27)6-10(8-23-16)13-7-15(18(20,21)22)25-26(13)2;1-26-12(9-14(25-26)18(19,20)21)10-7-8-15(23-16(10)22)24-17(27)11-5-3-4-6-13(11)28-2;1-25-12(7-14(24-25)17(19,20)21)9-6-13(26)15(22-8-9)23-16(27)10-4-2-3-5-11(10)18;1-26-11(6-13(25-26)17(20,21)22)8-5-12(27)15(23-7-8)24-16(28)14-9(18)3-2-4-10(14)19;1-26-12(8-13(25-26)17(19,20)21)10-6-7-14(23-15(10)22)24-16(27)9-4-2-3-5-11(9)18/h4-10H,1H2,2-3H3,(H3,24,25,26,29);3-8,27H,1-2H3,(H,23,24,28);3-9H,1-2H3,(H3,22,23,24,27);2-8,26H,1H3,(H,22,23,27);2-7,27H,1H3,(H,23,24,28);2-8H,1H3,(H3,22,23,24,27)
• InChIKey: UFOWHDJUTQXNJF-UHFFFAOYSA-N
• XLogP: 22.53
• TPSA: 516.07 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 21
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2377.44
LogP ≤ 5	22.53
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(1-methoxyethenyl)benzamide;2-chloro-N-[3-hydroxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[3-hydroxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[3-hydroxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide?

The IUPAC name of N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(1-methoxyethenyl)benzamide;2-chloro-N-[3-hydroxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[3-hydroxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[3-hydroxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide (CID 161078398) is N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(1-methoxyethenyl)benzamide;2-chloro-N-[3-hydroxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[3-hydroxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[3-hydroxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide.

What is the SMILES notation for N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(1-methoxyethenyl)benzamide;2-chloro-N-[3-hydroxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[3-hydroxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[3-hydroxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide?

The canonical SMILES for N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(1-methoxyethenyl)benzamide;2-chloro-N-[3-hydroxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[3-hydroxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[3-hydroxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide is C=C(OC)c1cccc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(N)n2)c1.COc1ccccc1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(N)n1.Cc1ccc(C(=O)Nc2ncc(-c3cc(C(F)(F)F)nn3C)cc2O)c(F)c1.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccccc2F)nc1N.Cn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2c(F)cccc2F)c(O)c1.Cn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2ccccc2Cl)c(O)c1.

What is the InChIKey of N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(1-methoxyethenyl)benzamide;2-chloro-N-[3-hydroxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[3-hydroxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[3-hydroxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide?

The InChIKey is UFOWHDJUTQXNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O2.C18H14F4N4O2.C18H16F3N5O2.C17H12ClF3N4O2.C17H11F5N4O2.C17H13F4N5O/c1-11(30-3)12-5-4-6-13(9-12)19(29)26-17-8-7-14(18(24)25-17)15-10-16(20(21,22)23)27-28(15)2;1-9-3-4-11(12(19)5-9)17(28)24-16-14(27)6-10(8-23-16)13-7-15(18(20,21)22)25-26(13)2;1-26-12(9-14(25-26)18(19,20)21)10-7-8-15(23-16(10)22)24-17(27)11-5-3-4-6-13(11)28-2;1-25-12(7-14(24-25)17(19,20)21)9-6-13(26)15(22-8-9)23-16(27)10-4-2-3-5-11(10)18;1-26-11(6-13(25-26)17(20,21)22)8-5-12(27)15(23-7-8)24-16(28)14-9(18)3-2-4-10(14)19;1-26-12(8-13(25-26)17(19,20)21)10-6-7-14(23-15(10)22)24-16(27)9-4-2-3-5-11(9)18/h4-10H,1H2,2-3H3,(H3,24,25,26,29);3-8,27H,1-2H3,(H,23,24,28);3-9H,1-2H3,(H3,22,23,24,27);2-8,26H,1H3,(H,22,23,27);2-7,27H,1H3,(H,23,24,28);2-8H,1H3,(H3,22,23,24,27).

What are the key properties of N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(1-methoxyethenyl)benzamide;2-chloro-N-[3-hydroxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[3-hydroxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[3-hydroxy-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]-2-fluorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(1-methoxyethenyl)benzamide;2-chloro-N-[3-hydroxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[3-hydroxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[3-hydroxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide has a molecular weight of 2377.44 g/mol, XLogP of 22.53, 21 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(1-methoxyethenyl)benzamide;2-chloro-N-[3-hydroxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[3-hydroxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[3-hydroxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide is sourced from PubChem (CID 161078398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).