1-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]acetonitrile;[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]methanamine;N-[[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[4-(1-methylindol-5-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine

C94H72F10N30O3S — CID 159704638

About 1-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]acetonitrile;[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]methanamine;N-[[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[4-(1-methylindol-5-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine

1-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]acetonitrile;[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]methanamine;N-[[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[4-(1-methylindol-5-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine (PubChem CID 159704638) has the molecular formula C94H72F10N30O3S and a molecular weight of 1891.86 g/mol. Its IUPAC name is 1-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]acetonitrile;[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]methanamine;N-[[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[4-(1-methylindol-5-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine.

Molecular Properties

• Compound Name: 1-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]acetonitrile;[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]methanamine;N-[[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[4-(1-methylindol-5-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine
• PubChem CID: 159704638
• Molecular Formula: C94H72F10N30O3S
• Molecular Weight: 1891.86 g/mol
• Exact Mass: 1890.60
• IUPAC Name: 1-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]acetonitrile;[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]methanamine;N-[[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[4-(1-methylindol-5-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine
• SMILES: CC(=O)N1CC=C(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CC1.CS(=O)(=O)NCc1cccc(-c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)c1.Cn1ccc2cc(-c3ccnc(-c4cnc5cnc(C(F)F)cn45)n3)ccc21.N#CCc1cccc(-c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)c1.NCc1cccc(-c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)c1
• InChI: InChI=1S/C20H14F2N6.C19H16F2N6O2S.C19H12F2N6.C18H16F2N6O.C18H14F2N6/c1-27-7-5-13-8-12(2-3-16(13)27)14-4-6-23-20(26-14)17-9-25-18-10-24-15(19(21)22)11-28(17)18;1-30(28,29)25-8-12-3-2-4-13(7-12)14-5-6-22-19(26-14)16-9-24-17-10-23-15(18(20)21)11-27(16)17;20-18(21)15-11-27-16(9-25-17(27)10-24-15)19-23-7-5-14(26-19)13-3-1-2-12(8-13)4-6-22;1-11(27)25-6-3-12(4-7-25)13-2-5-21-18(24-13)15-8-23-16-9-22-14(17(19)20)10-26(15)16;19-17(20)14-10-26-15(8-24-16(26)9-23-14)18-22-5-4-13(25-18)12-3-1-2-11(6-12)7-21/h2-11,19H,1H3;2-7,9-11,18,25H,8H2,1H3;1-3,5,7-11,18H,4H2;2-3,5,8-10,17H,4,6-7H2,1H3;1-6,8-10,17H,7,21H2
• InChIKey: MYBAPWNZFUOWFJ-UHFFFAOYSA-N
• XLogP: 16.99
• TPSA: 401.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 31
• Rotatable Bonds: 20
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1891.86
LogP ≤ 5	16.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]acetonitrile;[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]methanamine;N-[[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[4-(1-methylindol-5-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine?

The IUPAC name of 1-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]acetonitrile;[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]methanamine;N-[[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[4-(1-methylindol-5-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine (CID 159704638) is 1-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]acetonitrile;[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]methanamine;N-[[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[4-(1-methylindol-5-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine.

What is the SMILES notation for 1-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]acetonitrile;[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]methanamine;N-[[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[4-(1-methylindol-5-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine?

The canonical SMILES for 1-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]acetonitrile;[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]methanamine;N-[[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[4-(1-methylindol-5-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine is CC(=O)N1CC=C(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CC1.CS(=O)(=O)NCc1cccc(-c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)c1.Cn1ccc2cc(-c3ccnc(-c4cnc5cnc(C(F)F)cn45)n3)ccc21.N#CCc1cccc(-c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)c1.NCc1cccc(-c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)c1.

What is the InChIKey of 1-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]acetonitrile;[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]methanamine;N-[[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[4-(1-methylindol-5-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine?

The InChIKey is MYBAPWNZFUOWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N6.C19H16F2N6O2S.C19H12F2N6.C18H16F2N6O.C18H14F2N6/c1-27-7-5-13-8-12(2-3-16(13)27)14-4-6-23-20(26-14)17-9-25-18-10-24-15(19(21)22)11-28(17)18;1-30(28,29)25-8-12-3-2-4-13(7-12)14-5-6-22-19(26-14)16-9-24-17-10-23-15(18(20)21)11-27(16)17;20-18(21)15-11-27-16(9-25-17(27)10-24-15)19-23-7-5-14(26-19)13-3-1-2-12(8-13)4-6-22;1-11(27)25-6-3-12(4-7-25)13-2-5-21-18(24-13)15-8-23-16-9-22-14(17(19)20)10-26(15)16;19-17(20)14-10-26-15(8-24-16(26)9-23-14)18-22-5-4-13(25-18)12-3-1-2-11(6-12)7-21/h2-11,19H,1H3;2-7,9-11,18,25H,8H2,1H3;1-3,5,7-11,18H,4H2;2-3,5,8-10,17H,4,6-7H2,1H3;1-6,8-10,17H,7,21H2.

What are the key properties of 1-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]acetonitrile;[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]methanamine;N-[[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[4-(1-methylindol-5-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine?

1-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]acetonitrile;[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]methanamine;N-[[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[4-(1-methylindol-5-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine has a molecular weight of 1891.86 g/mol, XLogP of 16.99, 20 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]acetonitrile;[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]methanamine;N-[[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[4-(1-methylindol-5-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 159704638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).