2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide;2-bromo-5-fluoropyrimidine;(2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetate;tert-butyl 2-(3-acetyl-5-hydroxyindol-1-yl)acetate;hydrochloride

C90H84Br3ClF6N20O17 — CID 159816806

About 2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide;2-bromo-5-fluoropyrimidine;(2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetate;tert-butyl 2-(3-acetyl-5-hydroxyindol-1-yl)acetate;hydrochloride

2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide;2-bromo-5-fluoropyrimidine;(2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetate;tert-butyl 2-(3-acetyl-5-hydroxyindol-1-yl)acetate;hydrochloride (PubChem CID 159816806) has the molecular formula C90H84Br3ClF6N20O17 and a molecular weight of 2106.94 g/mol. Its IUPAC name is 2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide;2-bromo-5-fluoropyrimidine;(2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetate;tert-butyl 2-(3-acetyl-5-hydroxyindol-1-yl)acetate;hydrochloride.

Molecular Properties

• Compound Name: 2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide;2-bromo-5-fluoropyrimidine;(2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetate;tert-butyl 2-(3-acetyl-5-hydroxyindol-1-yl)acetate;hydrochloride
• PubChem CID: 159816806
• Molecular Formula: C90H84Br3ClF6N20O17
• Molecular Weight: 2106.94 g/mol
• Exact Mass: 2102.35
• IUPAC Name: 2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide;2-bromo-5-fluoropyrimidine;(2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetate;tert-butyl 2-(3-acetyl-5-hydroxyindol-1-yl)acetate;hydrochloride
• SMILES: CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cncc(Br)n2)c2ccc(Oc3ncc(F)cn3)cc12.CC(=O)c1cn(CC(=O)O)c2ccc(Oc3ncc(F)cn3)cc12.CC(=O)c1cn(CC(=O)OC(C)(C)C)c2ccc(O)cc12.CC(=O)c1cn(CC(=O)OC(C)(C)C)c2ccc(Oc3ncc(F)cn3)cc12.Cl.Fc1cnc(Br)nc1.O=C(Nc1cncc(Br)n1)[C@@H]1C[C@@H](F)CN1
• InChI: InChI=1S/C25H20BrF2N7O4.C20H20FN3O4.C16H12FN3O4.C16H19NO4.C9H10BrFN4O.C4H2BrFN2.ClH/c1-13(36)18-11-34(19-3-2-16(5-17(18)19)39-25-30-6-15(28)7-31-25)12-23(37)35-10-14(27)4-20(35)24(38)33-22-9-29-8-21(26)32-22;1-12(25)16-10-24(11-18(26)28-20(2,3)4)17-6-5-14(7-15(16)17)27-19-22-8-13(21)9-23-19;1-9(21)13-7-20(8-15(22)23)14-3-2-11(4-12(13)14)24-16-18-5-10(17)6-19-16;1-10(18)13-8-17(9-15(20)21-16(2,3)4)14-6-5-11(19)7-12(13)14;10-7-3-12-4-8(14-7)15-9(16)6-1-5(11)2-13-6;5-4-7-1-3(6)2-8-4;/h2-3,5-9,11,14,20H,4,10,12H2,1H3,(H,32,33,38);5-10H,11H2,1-4H3;2-7H,8H2,1H3,(H,22,23);5-8,19H,9H2,1-4H3;3-6,13H,1-2H2,(H,14,15,16);1-2H;1H/t14-,20+;;;;5-,6+;;/m1...1../s1
• InChIKey: YWZSUTAYHJMYCP-XVNYSXKZSA-N
• XLogP: 15.82
• TPSA: 471.04 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 22
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2106.94
LogP ≤ 5	15.82
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide;2-bromo-5-fluoropyrimidine;(2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetate;tert-butyl 2-(3-acetyl-5-hydroxyindol-1-yl)acetate;hydrochloride?

The IUPAC name of 2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide;2-bromo-5-fluoropyrimidine;(2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetate;tert-butyl 2-(3-acetyl-5-hydroxyindol-1-yl)acetate;hydrochloride (CID 159816806) is 2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide;2-bromo-5-fluoropyrimidine;(2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetate;tert-butyl 2-(3-acetyl-5-hydroxyindol-1-yl)acetate;hydrochloride.

What is the SMILES notation for 2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide;2-bromo-5-fluoropyrimidine;(2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetate;tert-butyl 2-(3-acetyl-5-hydroxyindol-1-yl)acetate;hydrochloride?

The canonical SMILES for 2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide;2-bromo-5-fluoropyrimidine;(2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetate;tert-butyl 2-(3-acetyl-5-hydroxyindol-1-yl)acetate;hydrochloride is CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cncc(Br)n2)c2ccc(Oc3ncc(F)cn3)cc12.CC(=O)c1cn(CC(=O)O)c2ccc(Oc3ncc(F)cn3)cc12.CC(=O)c1cn(CC(=O)OC(C)(C)C)c2ccc(O)cc12.CC(=O)c1cn(CC(=O)OC(C)(C)C)c2ccc(Oc3ncc(F)cn3)cc12.Cl.Fc1cnc(Br)nc1.O=C(Nc1cncc(Br)n1)[C@@H]1C[C@@H](F)CN1.

What is the InChIKey of 2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide;2-bromo-5-fluoropyrimidine;(2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetate;tert-butyl 2-(3-acetyl-5-hydroxyindol-1-yl)acetate;hydrochloride?

The InChIKey is YWZSUTAYHJMYCP-XVNYSXKZSA-N. The full InChI is InChI=1S/C25H20BrF2N7O4.C20H20FN3O4.C16H12FN3O4.C16H19NO4.C9H10BrFN4O.C4H2BrFN2.ClH/c1-13(36)18-11-34(19-3-2-16(5-17(18)19)39-25-30-6-15(28)7-31-25)12-23(37)35-10-14(27)4-20(35)24(38)33-22-9-29-8-21(26)32-22;1-12(25)16-10-24(11-18(26)28-20(2,3)4)17-6-5-14(7-15(16)17)27-19-22-8-13(21)9-23-19;1-9(21)13-7-20(8-15(22)23)14-3-2-11(4-12(13)14)24-16-18-5-10(17)6-19-16;1-10(18)13-8-17(9-15(20)21-16(2,3)4)14-6-5-11(19)7-12(13)14;10-7-3-12-4-8(14-7)15-9(16)6-1-5(11)2-13-6;5-4-7-1-3(6)2-8-4;/h2-3,5-9,11,14,20H,4,10,12H2,1H3,(H,32,33,38);5-10H,11H2,1-4H3;2-7H,8H2,1H3,(H,22,23);5-8,19H,9H2,1-4H3;3-6,13H,1-2H2,(H,14,15,16);1-2H;1H/t14-,20+;;;;5-,6+;;/m1...1../s1.

What are the key properties of 2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide;2-bromo-5-fluoropyrimidine;(2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetate;tert-butyl 2-(3-acetyl-5-hydroxyindol-1-yl)acetate;hydrochloride?

2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide;2-bromo-5-fluoropyrimidine;(2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetate;tert-butyl 2-(3-acetyl-5-hydroxyindol-1-yl)acetate;hydrochloride has a molecular weight of 2106.94 g/mol, XLogP of 15.82, 22 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide;2-bromo-5-fluoropyrimidine;(2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetate;tert-butyl 2-(3-acetyl-5-hydroxyindol-1-yl)acetate;hydrochloride is sourced from PubChem (CID 159816806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).