5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;ethane;tris(5-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide)

C83H78F12N24O12 — CID 158999652

About 5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;ethane;tris(5-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide)

5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;ethane;tris(5-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide) (PubChem CID 158999652) has the molecular formula C83H78F12N24O12 and a molecular weight of 1831.67 g/mol. Its IUPAC name is 5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;ethane;tris(5-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-(trifluoromethyl)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;ethane;tris(5-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide)
• PubChem CID: 158999652
• Molecular Formula: C83H78F12N24O12
• Molecular Weight: 1831.67 g/mol
• Exact Mass: 1830.60
• IUPAC Name: 5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;ethane;tris(5-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide)
• SMILES: CC.CC.CC.CC(=O)c1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C(F)(F)F)n(C)n3)c2)ncn1.Cn1nc(NC(=O)n2ccc3cc(Oc4cc(CO)ncn4)ccc32)cc1C(F)(F)F.Cn1nc(NC(=O)n2ccc3cc(Oc4cc(CO)ncn4)ccc32)cc1C(F)(F)F.Cn1nc(NC(=O)n2ccc3cc(Oc4cc(CO)ncn4)ccc32)cc1C(F)(F)F
• InChI: InChI=1S/C20H15F3N6O3.3C19H15F3N6O3.3C2H6/c1-11(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;3*1-27-15(19(20,21)22)8-16(26-27)25-18(30)28-5-4-11-6-13(2-3-14(11)28)31-17-7-12(9-29)23-10-24-17;3*1-2/h3-10H,1-2H3,(H,26,27,31);3*2-8,10,29H,9H2,1H3,(H,25,26,30);3*1-2H3
• InChIKey: JRELZPQNLKYTQV-UHFFFAOYSA-N
• XLogP: 17.98
• TPSA: 425.20 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 16
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1831.67
LogP ≤ 5	17.98
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

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;ethane;tris(5-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-(trifluoromethyl)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;ethane;tris(5-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide) (CID 158999652) is 5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;ethane;tris(5-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-(trifluoromethyl)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;ethane;tris(5-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-(trifluoromethyl)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;ethane;tris(5-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide) is CC.CC.CC.CC(=O)c1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C(F)(F)F)n(C)n3)c2)ncn1.Cn1nc(NC(=O)n2ccc3cc(Oc4cc(CO)ncn4)ccc32)cc1C(F)(F)F.Cn1nc(NC(=O)n2ccc3cc(Oc4cc(CO)ncn4)ccc32)cc1C(F)(F)F.Cn1nc(NC(=O)n2ccc3cc(Oc4cc(CO)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;ethane;tris(5-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide)?

The InChIKey is JRELZPQNLKYTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N6O3.3C19H15F3N6O3.3C2H6/c1-11(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;3*1-27-15(19(20,21)22)8-16(26-27)25-18(30)28-5-4-11-6-13(2-3-14(11)28)31-17-7-12(9-29)23-10-24-17;3*1-2/h3-10H,1-2H3,(H,26,27,31);3*2-8,10,29H,9H2,1H3,(H,25,26,30);3*1-2H3.

What are the key properties of 5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;ethane;tris(5-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide)?

5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;ethane;tris(5-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide) has a molecular weight of 1831.67 g/mol, XLogP of 17.98, 16 rotatable bonds, 7 hydrogen bond donors, and 32 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;ethane;tris(5-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide) is sourced from PubChem (CID 158999652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).