(4aS,7aS)-4-methyl-6-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one;7-methyl-2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.5]decan-6-one;3-[4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-(3-pyridin-4-ylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]morpholine

C97H88F15N35O4 — CID 161294311

About (4aS,7aS)-4-methyl-6-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one;7-methyl-2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.5]decan-6-one;3-[4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-(3-pyridin-4-ylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]morpholine

(4aS,7aS)-4-methyl-6-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one;7-methyl-2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.5]decan-6-one;3-[4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-(3-pyridin-4-ylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]morpholine (PubChem CID 161294311) has the molecular formula C97H88F15N35O4 and a molecular weight of 2092.98 g/mol. Its IUPAC name is (4aS,7aS)-4-methyl-6-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one;7-methyl-2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.5]decan-6-one;3-[4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-(3-pyridin-4-ylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]morpholine.

Molecular Properties

• Compound Name: (4aS,7aS)-4-methyl-6-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one;7-methyl-2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.5]decan-6-one;3-[4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-(3-pyridin-4-ylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]morpholine
• PubChem CID: 161294311
• Molecular Formula: C97H88F15N35O4
• Molecular Weight: 2092.98 g/mol
• Exact Mass: 2091.75
• IUPAC Name: (4aS,7aS)-4-methyl-6-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one;7-methyl-2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.5]decan-6-one;3-[4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-(3-pyridin-4-ylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]morpholine
• SMILES: CN1C(=O)CO[C@H]2CN(c3ccnc(-c4cnc5cnc(C(F)(F)F)cn45)n3)C[C@@H]21.CN1CCCC2(CCN(c3ccnc(-c4cnc5cnc(C(F)(F)F)cn45)n3)C2)C1=O.FC(F)(F)c1cn2c(-c3nccc(N4CCC(N5CCOCC5)C4)n3)cnc2cn1.FC(F)(F)c1cn2c(-c3nccc(N4CCC(c5ccccn5)C4)n3)cnc2cn1.FC(F)(F)c1cn2c(-c3nccc(N4CCC(c5ccncc5)C4)n3)cnc2cn1
• InChI: InChI=1S/C20H20F3N7O.2C20H16F3N7.C19H20F3N7O.C18H16F3N7O2/c1-28-7-2-4-19(18(28)31)5-8-29(12-19)15-3-6-24-17(27-15)13-9-26-16-10-25-14(11-30(13)16)20(21,22)23;21-20(22,23)16-12-30-15(9-27-18(30)10-26-16)19-25-7-3-17(28-19)29-8-4-14(11-29)13-1-5-24-6-2-13;21-20(22,23)16-12-30-15(9-27-18(30)10-26-16)19-25-7-4-17(28-19)29-8-5-13(11-29)14-3-1-2-6-24-14;20-19(21,22)15-12-29-14(9-25-17(29)10-24-15)18-23-3-1-16(26-18)28-4-2-13(11-28)27-5-7-30-8-6-27;1-26-11-6-27(7-12(11)30-9-16(26)29)14-2-3-22-17(25-14)10-4-24-15-5-23-13(8-28(10)15)18(19,20)21/h3,6,9-11H,2,4-5,7-8,12H2,1H3;1-3,5-7,9-10,12,14H,4,8,11H2;1-4,6-7,9-10,12-13H,5,8,11H2;1,3,9-10,12-13H,2,4-8,11H2;2-5,8,11-12H,6-7,9H2,1H3/t;;;;11-,12-/m....0/s1
• InChIKey: VGTRZZCHCPOHLI-SDRJVYHISA-N
• XLogP: 13.21
• TPSA: 384.15 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 13
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2092.98
LogP ≤ 5	13.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of (4aS,7aS)-4-methyl-6-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one;7-methyl-2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.5]decan-6-one;3-[4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-(3-pyridin-4-ylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]morpholine?

The IUPAC name of (4aS,7aS)-4-methyl-6-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one;7-methyl-2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.5]decan-6-one;3-[4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-(3-pyridin-4-ylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]morpholine (CID 161294311) is (4aS,7aS)-4-methyl-6-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one;7-methyl-2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.5]decan-6-one;3-[4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-(3-pyridin-4-ylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]morpholine.

What is the SMILES notation for (4aS,7aS)-4-methyl-6-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one;7-methyl-2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.5]decan-6-one;3-[4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-(3-pyridin-4-ylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]morpholine?

The canonical SMILES for (4aS,7aS)-4-methyl-6-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one;7-methyl-2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.5]decan-6-one;3-[4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-(3-pyridin-4-ylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]morpholine is CN1C(=O)CO[C@H]2CN(c3ccnc(-c4cnc5cnc(C(F)(F)F)cn45)n3)C[C@@H]21.CN1CCCC2(CCN(c3ccnc(-c4cnc5cnc(C(F)(F)F)cn45)n3)C2)C1=O.FC(F)(F)c1cn2c(-c3nccc(N4CCC(N5CCOCC5)C4)n3)cnc2cn1.FC(F)(F)c1cn2c(-c3nccc(N4CCC(c5ccccn5)C4)n3)cnc2cn1.FC(F)(F)c1cn2c(-c3nccc(N4CCC(c5ccncc5)C4)n3)cnc2cn1.

What is the InChIKey of (4aS,7aS)-4-methyl-6-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one;7-methyl-2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.5]decan-6-one;3-[4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-(3-pyridin-4-ylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]morpholine?

The InChIKey is VGTRZZCHCPOHLI-SDRJVYHISA-N. The full InChI is InChI=1S/C20H20F3N7O.2C20H16F3N7.C19H20F3N7O.C18H16F3N7O2/c1-28-7-2-4-19(18(28)31)5-8-29(12-19)15-3-6-24-17(27-15)13-9-26-16-10-25-14(11-30(13)16)20(21,22)23;21-20(22,23)16-12-30-15(9-27-18(30)10-26-16)19-25-7-3-17(28-19)29-8-4-14(11-29)13-1-5-24-6-2-13;21-20(22,23)16-12-30-15(9-27-18(30)10-26-16)19-25-7-4-17(28-19)29-8-5-13(11-29)14-3-1-2-6-24-14;20-19(21,22)15-12-29-14(9-25-17(29)10-24-15)18-23-3-1-16(26-18)28-4-2-13(11-28)27-5-7-30-8-6-27;1-26-11-6-27(7-12(11)30-9-16(26)29)14-2-3-22-17(25-14)10-4-24-15-5-23-13(8-28(10)15)18(19,20)21/h3,6,9-11H,2,4-5,7-8,12H2,1H3;1-3,5-7,9-10,12,14H,4,8,11H2;1-4,6-7,9-10,12-13H,5,8,11H2;1,3,9-10,12-13H,2,4-8,11H2;2-5,8,11-12H,6-7,9H2,1H3/t;;;;11-,12-/m....0/s1.

What are the key properties of (4aS,7aS)-4-methyl-6-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one;7-methyl-2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.5]decan-6-one;3-[4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-(3-pyridin-4-ylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]morpholine?

(4aS,7aS)-4-methyl-6-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one;7-methyl-2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.5]decan-6-one;3-[4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-(3-pyridin-4-ylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]morpholine has a molecular weight of 2092.98 g/mol, XLogP of 13.21, 13 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for (4aS,7aS)-4-methyl-6-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one;7-methyl-2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.5]decan-6-one;3-[4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-(3-pyridin-4-ylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]morpholine is sourced from PubChem (CID 161294311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).