N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-nitrobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-phenylpropanamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(trifluoromethyl)benzamide

C89H74F18N26O8 — CID 160707582

IUPACN-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-nitrobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-phenylpropanamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(trifluoromethyl)benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(N)n2)c1.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)CCc2ccccc2)nc1N.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccccc2)nc1N.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccccc2C(F)(F)F)nc1N.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])nc1N
InChIInChI=1S/C19H18F3N5O.C18H13F6N5O.C18H16F3N5O2.C17H13F3N6O3.C17H14F3N5O/c1-27-14(11-15(26-27)19(20,21)22)13-8-9-16(25-18(13)23)24-17(28)10-7-12-5-3-2-4-6-12;1-29-12(8-13(28-29)18(22,23)24)10-6-7-14(26-15(10)25)27-16(30)9-4-2-3-5-11(9)17(19,20)21;1-26-13(9-14(25-26)18(19,20)21)12-6-7-15(23-16(12)22)24-17(27)10-4-3-5-11(8-10)28-2;1-25-12(8-13(24-25)17(18,19)20)9-6-7-14(22-15(9)21)23-16(27)10-4-2-3-5-11(10)26(28)29;1-25-12(9-13(24-25)17(18,19)20)11-7-8-14(22-15(11)21)23-16(26)10-5-3-2-4-6-10/h2-6,8-9,11H,7,10H2,1H3,(H3,23,24,25,28);2-8H,1H3,(H3,25,26,27,30);3-9H,1-2H3,(H3,22,23,24,27);2-8H,1H3,(H3,21,22,23,27);2-9H,1H3,(H3,21,22,23,26)
InChIKeyRRKRUDGDDIUPPT-UHFFFAOYSA-N
MW1977.71 g/mol
LogP17.93
Rot. Bonds19

About N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-nitrobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-phenylpropanamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(trifluoromethyl)benzamide

N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-nitrobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-phenylpropanamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(trifluoromethyl)benzamide (PubChem CID 160707582) has the molecular formula C89H74F18N26O8 and a molecular weight of 1977.71 g/mol. Its IUPAC name is N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-nitrobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-phenylpropanamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-nitrobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-phenylpropanamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(trifluoromethyl)benzamide
PubChem CID160707582
Molecular FormulaC89H74F18N26O8
Molecular Weight1977.71 g/mol
Exact Mass1976.59
IUPAC NameN-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-nitrobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-phenylpropanamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(trifluoromethyl)benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(N)n2)c1.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)CCc2ccccc2)nc1N.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccccc2)nc1N.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccccc2C(F)(F)F)nc1N.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])nc1N
InChIInChI=1S/C19H18F3N5O.C18H13F6N5O.C18H16F3N5O2.C17H13F3N6O3.C17H14F3N5O/c1-27-14(11-15(26-27)19(20,21)22)13-8-9-16(25-18(13)23)24-17(28)10-7-12-5-3-2-4-6-12;1-29-12(8-13(28-29)18(22,23)24)10-6-7-14(26-15(10)25)27-16(30)9-4-2-3-5-11(9)17(19,20)21;1-26-13(9-14(25-26)18(19,20)21)12-6-7-15(23-16(12)22)24-17(27)10-4-3-5-11(8-10)28-2;1-25-12(8-13(24-25)17(18,19)20)9-6-7-14(22-15(9)21)23-16(27)10-4-2-3-5-11(10)26(28)29;1-25-12(9-13(24-25)17(18,19)20)11-7-8-14(22-15(11)21)23-16(26)10-5-3-2-4-6-10/h2-6,8-9,11H,7,10H2,1H3,(H3,23,24,25,28);2-8H,1H3,(H3,25,26,27,30);3-9H,1-2H3,(H3,22,23,24,27);2-8H,1H3,(H3,21,22,23,27);2-9H,1H3,(H3,21,22,23,26)
InChIKeyRRKRUDGDDIUPPT-UHFFFAOYSA-N
XLogP17.93
TPSA481.52 Ų
H-Bond Donors10
H-Bond Acceptors28
Rotatable Bonds19
Heavy Atoms141
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001977.71
LogP ≤ 517.93
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-nitrobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-phenylpropanamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(trifluoromethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-nitrobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-phenylpropanamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-nitrobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-phenylpropanamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(trifluoromethyl)benzamide (CID 160707582) is N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-nitrobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-phenylpropanamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-nitrobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-phenylpropanamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-nitrobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-phenylpropanamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(trifluoromethyl)benzamide is COc1cccc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(N)n2)c1.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)CCc2ccccc2)nc1N.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccccc2)nc1N.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccccc2C(F)(F)F)nc1N.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])nc1N.
What is the InChIKey of N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-nitrobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-phenylpropanamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(trifluoromethyl)benzamide?
The InChIKey is RRKRUDGDDIUPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O.C18H13F6N5O.C18H16F3N5O2.C17H13F3N6O3.C17H14F3N5O/c1-27-14(11-15(26-27)19(20,21)22)13-8-9-16(25-18(13)23)24-17(28)10-7-12-5-3-2-4-6-12;1-29-12(8-13(28-29)18(22,23)24)10-6-7-14(26-15(10)25)27-16(30)9-4-2-3-5-11(9)17(19,20)21;1-26-13(9-14(25-26)18(19,20)21)12-6-7-15(23-16(12)22)24-17(27)10-4-3-5-11(8-10)28-2;1-25-12(8-13(24-25)17(18,19)20)9-6-7-14(22-15(9)21)23-16(27)10-4-2-3-5-11(10)26(28)29;1-25-12(9-13(24-25)17(18,19)20)11-7-8-14(22-15(11)21)23-16(26)10-5-3-2-4-6-10/h2-6,8-9,11H,7,10H2,1H3,(H3,23,24,25,28);2-8H,1H3,(H3,25,26,27,30);3-9H,1-2H3,(H3,22,23,24,27);2-8H,1H3,(H3,21,22,23,27);2-9H,1H3,(H3,21,22,23,26).
What are the key properties of N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-nitrobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-phenylpropanamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(trifluoromethyl)benzamide?
N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-nitrobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-phenylpropanamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(trifluoromethyl)benzamide has a molecular weight of 1977.71 g/mol, XLogP of 17.93, 19 rotatable bonds, 10 hydrogen bond donors, and 28 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]benzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-nitrobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-phenylpropanamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 160707582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).