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

C100H98Br2F9N39O2 — CID 158454704

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

bis(4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(2H-pyrrol-4-yl)morpholine);3-[4-[3,3-dimethyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[2-methyl-5-propan-2-yl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 158454704) has the molecular formula C100H98Br2F9N39O2 and a molecular weight of 2208.94 g/mol. Its IUPAC name is bis(4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(2H-pyrrol-4-yl)morpholine);3-[4-[3,3-dimethyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[2-methyl-5-propan-2-yl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

• Compound Name: bis(4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(2H-pyrrol-4-yl)morpholine);3-[4-[3,3-dimethyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[2-methyl-5-propan-2-yl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
• PubChem CID: 158454704
• Molecular Formula: C100H98Br2F9N39O2
• Molecular Weight: 2208.94 g/mol
• Exact Mass: 2205.70
• IUPAC Name: bis(4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(2H-pyrrol-4-yl)morpholine);3-[4-[3,3-dimethyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[2-methyl-5-propan-2-yl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
• SMILES: CC(C)C1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C(C)C(C2=CCN=C2)N1.CC1(C)CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(C2=CCN=C2)N1.CC1C(C2=CCN=C2)OCCN1c1ccnc(-c2cnc3cnc(Br)cn23)n1.CC1C(C2=CCN=C2)OCCN1c1ccnc(-c2cnc3cnc(Br)cn23)n1.FC(F)(F)c1cn2c(-c3nccc(N4CCCC(c5ncn[nH]5)C4)n3)cnc2cn1
• InChI: InChI=1S/C23H25F3N8.C21H21F3N8.2C19H18BrN7O.C18H16F3N9/c1-13(2)16-11-33(14(3)21(31-16)15-4-6-27-8-15)19-5-7-28-22(32-19)17-9-30-20-10-29-18(12-34(17)20)23(24,25)26;1-20(2)12-31(10-14(30-20)13-3-5-25-7-13)17-4-6-26-19(29-17)15-8-28-18-9-27-16(11-32(15)18)21(22,23)24;2*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;19-18(20,21)13-9-30-12(6-24-15(30)7-23-13)17-22-4-3-14(27-17)29-5-1-2-11(8-29)16-25-10-26-28-16/h4-5,7-10,12-14,16,21,31H,6,11H2,1-3H3;3-4,6-9,11,14,30H,5,10,12H2,1-2H3;2*2-3,5,8-12,18H,4,6-7H2,1H3;3-4,6-7,9-11H,1-2,5,8H2,(H,25,26,28)
• InChIKey: HEKSWMXHHOZBJS-UHFFFAOYSA-N
• XLogP: 13.99
• TPSA: 429.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 40
• Rotatable Bonds: 16
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2208.94
LogP ≤ 5	13.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

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

The IUPAC name of bis(4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(2H-pyrrol-4-yl)morpholine);3-[4-[3,3-dimethyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[2-methyl-5-propan-2-yl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 158454704) is bis(4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(2H-pyrrol-4-yl)morpholine);3-[4-[3,3-dimethyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[2-methyl-5-propan-2-yl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.

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

The canonical SMILES for bis(4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(2H-pyrrol-4-yl)morpholine);3-[4-[3,3-dimethyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[2-methyl-5-propan-2-yl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is CC(C)C1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C(C)C(C2=CCN=C2)N1.CC1(C)CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(C2=CCN=C2)N1.CC1C(C2=CCN=C2)OCCN1c1ccnc(-c2cnc3cnc(Br)cn23)n1.CC1C(C2=CCN=C2)OCCN1c1ccnc(-c2cnc3cnc(Br)cn23)n1.FC(F)(F)c1cn2c(-c3nccc(N4CCCC(c5ncn[nH]5)C4)n3)cnc2cn1.

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

The InChIKey is HEKSWMXHHOZBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N8.C21H21F3N8.2C19H18BrN7O.C18H16F3N9/c1-13(2)16-11-33(14(3)21(31-16)15-4-6-27-8-15)19-5-7-28-22(32-19)17-9-30-20-10-29-18(12-34(17)20)23(24,25)26;1-20(2)12-31(10-14(30-20)13-3-5-25-7-13)17-4-6-26-19(29-17)15-8-28-18-9-27-16(11-32(15)18)21(22,23)24;2*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;19-18(20,21)13-9-30-12(6-24-15(30)7-23-13)17-22-4-3-14(27-17)29-5-1-2-11(8-29)16-25-10-26-28-16/h4-5,7-10,12-14,16,21,31H,6,11H2,1-3H3;3-4,6-9,11,14,30H,5,10,12H2,1-2H3;2*2-3,5,8-12,18H,4,6-7H2,1H3;3-4,6-7,9-11H,1-2,5,8H2,(H,25,26,28).

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

bis(4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(2H-pyrrol-4-yl)morpholine);3-[4-[3,3-dimethyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[2-methyl-5-propan-2-yl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 2208.94 g/mol, XLogP of 13.99, 16 rotatable bonds, 3 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methyl-2-(2H-pyrrol-4-yl)morpholine);3-[4-[3,3-dimethyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[2-methyl-5-propan-2-yl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 158454704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).