6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;(5R)-2,2-dimethyl-5-(trifluoromethyl)-1,3-oxazolidine-5-carboxamide;(2R)-2-hydroxybutanedioic acid;(2R)-3,3,3-trifluoro-2-[[[5-fluoro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidin-4-yl]amino]methyl]-2-hydroxypropanamide

C47H41ClF10N16O9 — CID 158762496

About 6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;(5R)-2,2-dimethyl-5-(trifluoromethyl)-1,3-oxazolidine-5-carboxamide;(2R)-2-hydroxybutanedioic acid;(2R)-3,3,3-trifluoro-2-[[[5-fluoro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidin-4-yl]amino]methyl]-2-hydroxypropanamide

6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;(5R)-2,2-dimethyl-5-(trifluoromethyl)-1,3-oxazolidine-5-carboxamide;(2R)-2-hydroxybutanedioic acid;(2R)-3,3,3-trifluoro-2-[[[5-fluoro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidin-4-yl]amino]methyl]-2-hydroxypropanamide (PubChem CID 158762496) has the molecular formula C47H41ClF10N16O9 and a molecular weight of 1199.38 g/mol. Its IUPAC name is 6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;(5R)-2,2-dimethyl-5-(trifluoromethyl)-1,3-oxazolidine-5-carboxamide;(2R)-2-hydroxybutanedioic acid;(2R)-3,3,3-trifluoro-2-[[[5-fluoro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidin-4-yl]amino]methyl]-2-hydroxypropanamide.

Molecular Properties

• Compound Name: 6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;(5R)-2,2-dimethyl-5-(trifluoromethyl)-1,3-oxazolidine-5-carboxamide;(2R)-2-hydroxybutanedioic acid;(2R)-3,3,3-trifluoro-2-[[[5-fluoro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidin-4-yl]amino]methyl]-2-hydroxypropanamide
• PubChem CID: 158762496
• Molecular Formula: C47H41ClF10N16O9
• Molecular Weight: 1199.38 g/mol
• Exact Mass: 1198.28
• IUPAC Name: 6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;(5R)-2,2-dimethyl-5-(trifluoromethyl)-1,3-oxazolidine-5-carboxamide;(2R)-2-hydroxybutanedioic acid;(2R)-3,3,3-trifluoro-2-[[[5-fluoro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidin-4-yl]amino]methyl]-2-hydroxypropanamide
• SMILES: CC1(C)NC[C@@](C(N)=O)(C(F)(F)F)O1.Fc1ccccc1Cc1nc(-c2ncc(F)c(Cl)n2)cn2ncnc12.NC(=O)[C@](O)(CNc1nc(-c2cn3ncnc3c(Cc3ccccc3F)n2)ncc1F)C(F)(F)F.O=C(O)C[C@@H](O)C(=O)O
• InChI: InChI=1S/C20H15F5N8O2.C16H9ClF2N6.C7H11F3N2O2.C4H6O5/c21-11-4-2-1-3-10(11)5-13-17-29-9-30-33(17)7-14(31-13)16-27-6-12(22)15(32-16)28-8-19(35,18(26)34)20(23,24)25;17-14-11(19)6-20-15(24-14)13-7-25-16(21-8-22-25)12(23-13)5-9-3-1-2-4-10(9)18;1-5(2)12-3-6(14-5,4(11)13)7(8,9)10;5-2(4(8)9)1-3(6)7/h1-4,6-7,9,35H,5,8H2,(H2,26,34)(H,27,28,32);1-4,6-8H,5H2;12H,3H2,1-2H3,(H2,11,13);2,5H,1H2,(H,6,7)(H,8,9)/t19-;;6-;2-/m1.11/s1
• InChIKey: IOVRCHVXFSFQFF-TZTSAFTKSA-N
• XLogP: 3.78
• TPSA: 372.25 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 21
• Rotatable Bonds: 14
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1199.38
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;(5R)-2,2-dimethyl-5-(trifluoromethyl)-1,3-oxazolidine-5-carboxamide;(2R)-2-hydroxybutanedioic acid;(2R)-3,3,3-trifluoro-2-[[[5-fluoro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidin-4-yl]amino]methyl]-2-hydroxypropanamide?

The IUPAC name of 6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;(5R)-2,2-dimethyl-5-(trifluoromethyl)-1,3-oxazolidine-5-carboxamide;(2R)-2-hydroxybutanedioic acid;(2R)-3,3,3-trifluoro-2-[[[5-fluoro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidin-4-yl]amino]methyl]-2-hydroxypropanamide (CID 158762496) is 6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;(5R)-2,2-dimethyl-5-(trifluoromethyl)-1,3-oxazolidine-5-carboxamide;(2R)-2-hydroxybutanedioic acid;(2R)-3,3,3-trifluoro-2-[[[5-fluoro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidin-4-yl]amino]methyl]-2-hydroxypropanamide.

What is the SMILES notation for 6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;(5R)-2,2-dimethyl-5-(trifluoromethyl)-1,3-oxazolidine-5-carboxamide;(2R)-2-hydroxybutanedioic acid;(2R)-3,3,3-trifluoro-2-[[[5-fluoro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidin-4-yl]amino]methyl]-2-hydroxypropanamide?

The canonical SMILES for 6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;(5R)-2,2-dimethyl-5-(trifluoromethyl)-1,3-oxazolidine-5-carboxamide;(2R)-2-hydroxybutanedioic acid;(2R)-3,3,3-trifluoro-2-[[[5-fluoro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidin-4-yl]amino]methyl]-2-hydroxypropanamide is CC1(C)NC[C@@](C(N)=O)(C(F)(F)F)O1.Fc1ccccc1Cc1nc(-c2ncc(F)c(Cl)n2)cn2ncnc12.NC(=O)[C@](O)(CNc1nc(-c2cn3ncnc3c(Cc3ccccc3F)n2)ncc1F)C(F)(F)F.O=C(O)C[C@@H](O)C(=O)O.

What is the InChIKey of 6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;(5R)-2,2-dimethyl-5-(trifluoromethyl)-1,3-oxazolidine-5-carboxamide;(2R)-2-hydroxybutanedioic acid;(2R)-3,3,3-trifluoro-2-[[[5-fluoro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidin-4-yl]amino]methyl]-2-hydroxypropanamide?

The InChIKey is IOVRCHVXFSFQFF-TZTSAFTKSA-N. The full InChI is InChI=1S/C20H15F5N8O2.C16H9ClF2N6.C7H11F3N2O2.C4H6O5/c21-11-4-2-1-3-10(11)5-13-17-29-9-30-33(17)7-14(31-13)16-27-6-12(22)15(32-16)28-8-19(35,18(26)34)20(23,24)25;17-14-11(19)6-20-15(24-14)13-7-25-16(21-8-22-25)12(23-13)5-9-3-1-2-4-10(9)18;1-5(2)12-3-6(14-5,4(11)13)7(8,9)10;5-2(4(8)9)1-3(6)7/h1-4,6-7,9,35H,5,8H2,(H2,26,34)(H,27,28,32);1-4,6-8H,5H2;12H,3H2,1-2H3,(H2,11,13);2,5H,1H2,(H,6,7)(H,8,9)/t19-;;6-;2-/m1.11/s1.

What are the key properties of 6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;(5R)-2,2-dimethyl-5-(trifluoromethyl)-1,3-oxazolidine-5-carboxamide;(2R)-2-hydroxybutanedioic acid;(2R)-3,3,3-trifluoro-2-[[[5-fluoro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidin-4-yl]amino]methyl]-2-hydroxypropanamide?

6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;(5R)-2,2-dimethyl-5-(trifluoromethyl)-1,3-oxazolidine-5-carboxamide;(2R)-2-hydroxybutanedioic acid;(2R)-3,3,3-trifluoro-2-[[[5-fluoro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidin-4-yl]amino]methyl]-2-hydroxypropanamide has a molecular weight of 1199.38 g/mol, XLogP of 3.78, 14 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;(5R)-2,2-dimethyl-5-(trifluoromethyl)-1,3-oxazolidine-5-carboxamide;(2R)-2-hydroxybutanedioic acid;(2R)-3,3,3-trifluoro-2-[[[5-fluoro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidin-4-yl]amino]methyl]-2-hydroxypropanamide is sourced from PubChem (CID 158762496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).