4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(2H-pyrrol-4-yl)morpholine;bis(3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile);3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-methyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine

C103H100BrF6N39O2 — CID 159526870

About 4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(2H-pyrrol-4-yl)morpholine;bis(3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile);3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-methyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine

4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(2H-pyrrol-4-yl)morpholine;bis(3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile);3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-methyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine (PubChem CID 159526870) has the molecular formula C103H100BrF6N39O2 and a molecular weight of 2110.10 g/mol. Its IUPAC name is 4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(2H-pyrrol-4-yl)morpholine;bis(3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile);3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-methyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

• Compound Name: 4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(2H-pyrrol-4-yl)morpholine;bis(3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile);3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-methyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine
• PubChem CID: 159526870
• Molecular Formula: C103H100BrF6N39O2
• Molecular Weight: 2110.10 g/mol
• Exact Mass: 2107.80
• IUPAC Name: 4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(2H-pyrrol-4-yl)morpholine;bis(3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile);3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-methyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine
• SMILES: CC1C(C2=CCN=C2)OCCN1c1ccnc(-c2cnc3cnc(Br)cn23)n1.CC1C(C2=CCN=C2)OCCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.CC1CC(C2=CCN=C2)C(C)N(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.CC1CN(c2ccnc(-c3cnc4cnc(C#N)cn34)n2)C(C)C(C2=CCN=C2)N1.CC1CN(c2ccnc(-c3cnc4cnc(C#N)cn34)n2)C(C)C(C2=CCN=C2)N1
• InChI: InChI=1S/C22H22F3N7.2C21H21N9.C20H18F3N7O.C19H18BrN7O/c1-13-7-16(15-3-5-26-8-15)14(2)31(11-13)19-4-6-27-21(30-19)17-9-29-20-10-28-18(12-32(17)20)22(23,24)25;2*1-13-11-29(14(2)20(27-13)15-3-5-23-8-15)18-4-6-24-21(28-18)17-9-26-19-10-25-16(7-22)12-30(17)19;1-12-18(13-2-4-24-8-13)31-7-6-29(12)16-3-5-25-19(28-16)14-9-27-17-10-26-15(11-30(14)17)20(21,22)23;1-12-18(13-2-4-21-8-13)28-7-6-26(12)16-3-5-22-19(25-16)14-9-24-17-10-23-15(20)11-27(14)17/h3-4,6,8-10,12-14,16H,5,7,11H2,1-2H3;2*3-4,6,8-10,12-14,20,27H,5,11H2,1-2H3;2-3,5,8-12,18H,4,6-7H2,1H3;2-3,5,8-12,18H,4,6-7H2,1H3
• InChIKey: MCMPPTCLNDKEND-UHFFFAOYSA-N
• XLogP: 12.68
• TPSA: 447.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 41
• Rotatable Bonds: 15
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2110.10
LogP ≤ 5	12.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(2H-pyrrol-4-yl)morpholine;bis(3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile);3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-methyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine?

The IUPAC name of 4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(2H-pyrrol-4-yl)morpholine;bis(3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile);3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-methyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine (CID 159526870) is 4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(2H-pyrrol-4-yl)morpholine;bis(3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile);3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-methyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine.

What is the SMILES notation for 4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(2H-pyrrol-4-yl)morpholine;bis(3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile);3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-methyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine?

The canonical SMILES for 4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(2H-pyrrol-4-yl)morpholine;bis(3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile);3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-methyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine is CC1C(C2=CCN=C2)OCCN1c1ccnc(-c2cnc3cnc(Br)cn23)n1.CC1C(C2=CCN=C2)OCCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.CC1CC(C2=CCN=C2)C(C)N(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.CC1CN(c2ccnc(-c3cnc4cnc(C#N)cn34)n2)C(C)C(C2=CCN=C2)N1.CC1CN(c2ccnc(-c3cnc4cnc(C#N)cn34)n2)C(C)C(C2=CCN=C2)N1.

What is the InChIKey of 4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(2H-pyrrol-4-yl)morpholine;bis(3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile);3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-methyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine?

The InChIKey is MCMPPTCLNDKEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N7.2C21H21N9.C20H18F3N7O.C19H18BrN7O/c1-13-7-16(15-3-5-26-8-15)14(2)31(11-13)19-4-6-27-21(30-19)17-9-29-20-10-28-18(12-32(17)20)22(23,24)25;2*1-13-11-29(14(2)20(27-13)15-3-5-23-8-15)18-4-6-24-21(28-18)17-9-26-19-10-25-16(7-22)12-30(17)19;1-12-18(13-2-4-24-8-13)31-7-6-29(12)16-3-5-25-19(28-16)14-9-27-17-10-26-15(11-30(14)17)20(21,22)23;1-12-18(13-2-4-21-8-13)28-7-6-26(12)16-3-5-22-19(25-16)14-9-24-17-10-23-15(20)11-27(14)17/h3-4,6,8-10,12-14,16H,5,7,11H2,1-2H3;2*3-4,6,8-10,12-14,20,27H,5,11H2,1-2H3;2-3,5,8-12,18H,4,6-7H2,1H3;2-3,5,8-12,18H,4,6-7H2,1H3.

What are the key properties of 4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(2H-pyrrol-4-yl)morpholine;bis(3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile);3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-methyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine?

4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(2H-pyrrol-4-yl)morpholine;bis(3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile);3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-methyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine has a molecular weight of 2110.10 g/mol, XLogP of 12.68, 15 rotatable bonds, 2 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(2H-pyrrol-4-yl)morpholine;bis(3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile);3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-methyl-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 159526870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).