5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;dimethyl-[[6-[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methylidene]azanium;dimethyl-[[6-[1-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methylidene]azanium;ethane;5-[[6-[[hydroxy(methyl)amino]methylidene]-1H-pyrimidin-4-yl]oxy]-N-[5-(trifluoromethyl)pyrazol-3-ylidene]indole-1-carboxamide;5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indole-1-carboxamide

C103H93F15N34O12+2 — CID 157313118

About 5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;dimethyl-[[6-[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methylidene]azanium;dimethyl-[[6-[1-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methylidene]azanium;ethane;5-[[6-[[hydroxy(methyl)amino]methylidene]-1H-pyrimidin-4-yl]oxy]-N-[5-(trifluoromethyl)pyrazol-3-ylidene]indole-1-carboxamide;5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indole-1-carboxamide

5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;dimethyl-[[6-[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methylidene]azanium;dimethyl-[[6-[1-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methylidene]azanium;ethane;5-[[6-[[hydroxy(methyl)amino]methylidene]-1H-pyrimidin-4-yl]oxy]-N-[5-(trifluoromethyl)pyrazol-3-ylidene]indole-1-carboxamide;5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indole-1-carboxamide (PubChem CID 157313118) has the molecular formula C103H93F15N34O12+2 and a molecular weight of 2284.07 g/mol. Its IUPAC name is 5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;dimethyl-[[6-[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methylidene]azanium;dimethyl-[[6-[1-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methylidene]azanium;ethane;5-[[6-[[hydroxy(methyl)amino]methylidene]-1H-pyrimidin-4-yl]oxy]-N-[5-(trifluoromethyl)pyrazol-3-ylidene]indole-1-carboxamide;5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indole-1-carboxamide.

Molecular Properties

• Compound Name: 5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;dimethyl-[[6-[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methylidene]azanium;dimethyl-[[6-[1-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methylidene]azanium;ethane;5-[[6-[[hydroxy(methyl)amino]methylidene]-1H-pyrimidin-4-yl]oxy]-N-[5-(trifluoromethyl)pyrazol-3-ylidene]indole-1-carboxamide;5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indole-1-carboxamide
• PubChem CID: 157313118
• Molecular Formula: C103H93F15N34O12+2
• Molecular Weight: 2284.07 g/mol
• Exact Mass: 2282.75
• IUPAC Name: 5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;dimethyl-[[6-[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methylidene]azanium;dimethyl-[[6-[1-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methylidene]azanium;ethane;5-[[6-[[hydroxy(methyl)amino]methylidene]-1H-pyrimidin-4-yl]oxy]-N-[5-(trifluoromethyl)pyrazol-3-ylidene]indole-1-carboxamide;5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indole-1-carboxamide
• SMILES: CC.CC.CC(=O)c1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C(F)(F)F)n(C)n3)c2)ncn1.CN(O)C=C1C=C(Oc2ccc3c(ccn3C(=O)N=C3C=C(C(F)(F)F)N=N3)c2)N=CN1.CNCc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C(F)(F)F)[nH]n3)c2)ncn1.C[N+](C)=Cc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C(F)(F)F)[nH]n3)c2)ncn1.Cn1nc(NC(=O)n2ccc3cc(Oc4cc(C=[N+](C)C)ncn4)ccc32)cc1C(F)(F)F
• InChI: InChI=1S/C21H18F3N7O2.C20H16F3N7O2.C20H15F3N6O3.C19H14F3N7O3.C19H16F3N7O2.2C2H6/c1-29(2)11-14-9-19(26-12-25-14)33-15-4-5-16-13(8-15)6-7-31(16)20(32)27-18-10-17(21(22,23)24)30(3)28-18;1-29(2)10-13-8-18(25-11-24-13)32-14-3-4-15-12(7-14)5-6-30(15)19(31)26-17-9-16(27-28-17)20(21,22)23;1-11(30)14-8-18(25-10-24-14)32-13-3-4-15-12(7-13)5-6-29(15)19(31)26-17-9-16(20(21,22)23)28(2)27-17;1-28(31)9-12-7-17(24-10-23-12)32-13-2-3-14-11(6-13)4-5-29(14)18(30)25-16-8-15(26-27-16)19(20,21)22;1-23-9-12-7-17(25-10-24-12)31-13-2-3-14-11(6-13)4-5-29(14)18(30)26-16-8-15(27-28-16)19(20,21)22;2*1-2/h4-12H,1-3H3;3-11H,1-2H3,(H,24,25);3-10H,1-2H3,(H,26,27,31);2-10,31H,1H3,(H,23,24);2-8,10,23H,9H2,1H3,(H2,26,27,28,30);2*1-2H3/p+2
• InChIKey: LWQXBGGNFCKHQF-UHFFFAOYSA-P
• XLogP: 21.49
• TPSA: 520.45 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 36
• Rotatable Bonds: 20
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2284.07
LogP ≤ 5	21.49
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;dimethyl-[[6-[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methylidene]azanium;dimethyl-[[6-[1-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methylidene]azanium;ethane;5-[[6-[[hydroxy(methyl)amino]methylidene]-1H-pyrimidin-4-yl]oxy]-N-[5-(trifluoromethyl)pyrazol-3-ylidene]indole-1-carboxamide;5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indole-1-carboxamide?

The IUPAC name of 5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;dimethyl-[[6-[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methylidene]azanium;dimethyl-[[6-[1-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methylidene]azanium;ethane;5-[[6-[[hydroxy(methyl)amino]methylidene]-1H-pyrimidin-4-yl]oxy]-N-[5-(trifluoromethyl)pyrazol-3-ylidene]indole-1-carboxamide;5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indole-1-carboxamide (CID 157313118) is 5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;dimethyl-[[6-[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methylidene]azanium;dimethyl-[[6-[1-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methylidene]azanium;ethane;5-[[6-[[hydroxy(methyl)amino]methylidene]-1H-pyrimidin-4-yl]oxy]-N-[5-(trifluoromethyl)pyrazol-3-ylidene]indole-1-carboxamide;5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indole-1-carboxamide.

What is the SMILES notation for 5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;dimethyl-[[6-[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methylidene]azanium;dimethyl-[[6-[1-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methylidene]azanium;ethane;5-[[6-[[hydroxy(methyl)amino]methylidene]-1H-pyrimidin-4-yl]oxy]-N-[5-(trifluoromethyl)pyrazol-3-ylidene]indole-1-carboxamide;5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indole-1-carboxamide?

The canonical SMILES for 5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;dimethyl-[[6-[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methylidene]azanium;dimethyl-[[6-[1-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methylidene]azanium;ethane;5-[[6-[[hydroxy(methyl)amino]methylidene]-1H-pyrimidin-4-yl]oxy]-N-[5-(trifluoromethyl)pyrazol-3-ylidene]indole-1-carboxamide;5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indole-1-carboxamide is CC.CC.CC(=O)c1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C(F)(F)F)n(C)n3)c2)ncn1.CN(O)C=C1C=C(Oc2ccc3c(ccn3C(=O)N=C3C=C(C(F)(F)F)N=N3)c2)N=CN1.CNCc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C(F)(F)F)[nH]n3)c2)ncn1.C[N+](C)=Cc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C(F)(F)F)[nH]n3)c2)ncn1.Cn1nc(NC(=O)n2ccc3cc(Oc4cc(C=[N+](C)C)ncn4)ccc32)cc1C(F)(F)F.

What is the InChIKey of 5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;dimethyl-[[6-[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methylidene]azanium;dimethyl-[[6-[1-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methylidene]azanium;ethane;5-[[6-[[hydroxy(methyl)amino]methylidene]-1H-pyrimidin-4-yl]oxy]-N-[5-(trifluoromethyl)pyrazol-3-ylidene]indole-1-carboxamide;5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indole-1-carboxamide?

The InChIKey is LWQXBGGNFCKHQF-UHFFFAOYSA-P. The full InChI is InChI=1S/C21H18F3N7O2.C20H16F3N7O2.C20H15F3N6O3.C19H14F3N7O3.C19H16F3N7O2.2C2H6/c1-29(2)11-14-9-19(26-12-25-14)33-15-4-5-16-13(8-15)6-7-31(16)20(32)27-18-10-17(21(22,23)24)30(3)28-18;1-29(2)10-13-8-18(25-11-24-13)32-14-3-4-15-12(7-14)5-6-30(15)19(31)26-17-9-16(27-28-17)20(21,22)23;1-11(30)14-8-18(25-10-24-14)32-13-3-4-15-12(7-13)5-6-29(15)19(31)26-17-9-16(20(21,22)23)28(2)27-17;1-28(31)9-12-7-17(24-10-23-12)32-13-2-3-14-11(6-13)4-5-29(14)18(30)25-16-8-15(26-27-16)19(20,21)22;1-23-9-12-7-17(25-10-24-12)31-13-2-3-14-11(6-13)4-5-29(14)18(30)26-16-8-15(27-28-16)19(20,21)22;2*1-2/h4-12H,1-3H3;3-11H,1-2H3,(H,24,25);3-10H,1-2H3,(H,26,27,31);2-10,31H,1H3,(H,23,24);2-8,10,23H,9H2,1H3,(H2,26,27,28,30);2*1-2H3/p+2.

What are the key properties of 5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;dimethyl-[[6-[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methylidene]azanium;dimethyl-[[6-[1-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methylidene]azanium;ethane;5-[[6-[[hydroxy(methyl)amino]methylidene]-1H-pyrimidin-4-yl]oxy]-N-[5-(trifluoromethyl)pyrazol-3-ylidene]indole-1-carboxamide;5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indole-1-carboxamide?

5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;dimethyl-[[6-[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methylidene]azanium;dimethyl-[[6-[1-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methylidene]azanium;ethane;5-[[6-[[hydroxy(methyl)amino]methylidene]-1H-pyrimidin-4-yl]oxy]-N-[5-(trifluoromethyl)pyrazol-3-ylidene]indole-1-carboxamide;5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indole-1-carboxamide has a molecular weight of 2284.07 g/mol, XLogP of 21.49, 20 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;dimethyl-[[6-[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methylidene]azanium;dimethyl-[[6-[1-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methylidene]azanium;ethane;5-[[6-[[hydroxy(methyl)amino]methylidene]-1H-pyrimidin-4-yl]oxy]-N-[5-(trifluoromethyl)pyrazol-3-ylidene]indole-1-carboxamide;5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indole-1-carboxamide is sourced from PubChem (CID 157313118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).