6-bromo-3-[4-[5-(2-methyl-3H-pyrrol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;bis(3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);[5-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol

C100H94Br2F9N37O — CID 157176989

About 6-bromo-3-[4-[5-(2-methyl-3H-pyrrol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;bis(3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);[5-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol

6-bromo-3-[4-[5-(2-methyl-3H-pyrrol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;bis(3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);[5-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol (PubChem CID 157176989) has the molecular formula C100H94Br2F9N37O and a molecular weight of 2160.90 g/mol. Its IUPAC name is 6-bromo-3-[4-[5-(2-methyl-3H-pyrrol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;bis(3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);[5-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

• Compound Name: 6-bromo-3-[4-[5-(2-methyl-3H-pyrrol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;bis(3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);[5-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
• PubChem CID: 157176989
• Molecular Formula: C100H94Br2F9N37O
• Molecular Weight: 2160.90 g/mol
• Exact Mass: 2157.67
• IUPAC Name: 6-bromo-3-[4-[5-(2-methyl-3H-pyrrol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;bis(3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);[5-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
• SMILES: Brc1cn2c(-c3nccc(N4CCCC(C5=CCN=C5)C4)n3)cnc2cn1.CC1=NC(C2=CCCN(c3ccnc(-c4cnc5cnc(Br)cn45)n3)C2)=CC1.CC1C(C2=CCN=C2)NCCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.CC1C(C2=CCN=C2)NCCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.OCC1CC(C2=CCN=C2)CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
• InChI: InChI=1S/C21H20F3N7O.C20H18BrN7.2C20H19F3N8.C19H18BrN7/c22-21(23,24)17-11-31-16(7-28-19(31)8-27-17)20-26-4-2-18(29-20)30-9-13(12-32)5-15(10-30)14-1-3-25-6-14;1-13-4-5-15(25-13)14-3-2-8-27(11-14)18-6-7-22-20(26-18)16-9-24-19-10-23-17(21)12-28(16)19;2*1-12-18(13-2-4-24-8-13)25-6-7-30(12)16-3-5-26-19(29-16)14-9-28-17-10-27-15(11-31(14)17)20(21,22)23;20-16-12-27-15(9-24-18(27)10-23-16)19-22-6-4-17(25-19)26-7-1-2-14(11-26)13-3-5-21-8-13/h1-2,4,6-8,11,13,15,32H,3,5,9-10,12H2;3,5-7,9-10,12H,2,4,8,11H2,1H3;2*2-3,5,8-12,18,25H,4,6-7H2,1H3;3-4,6,8-10,12,14H,1-2,5,7,11H2
• InChIKey: AOCXPONKYBGHTH-UHFFFAOYSA-N
• XLogP: 14.43
• TPSA: 402.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 38
• Rotatable Bonds: 16
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2160.90
LogP ≤ 5	14.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

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

The IUPAC name of 6-bromo-3-[4-[5-(2-methyl-3H-pyrrol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;bis(3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);[5-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol (CID 157176989) is 6-bromo-3-[4-[5-(2-methyl-3H-pyrrol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;bis(3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);[5-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol.

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

The canonical SMILES for 6-bromo-3-[4-[5-(2-methyl-3H-pyrrol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;bis(3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);[5-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol is Brc1cn2c(-c3nccc(N4CCCC(C5=CCN=C5)C4)n3)cnc2cn1.CC1=NC(C2=CCCN(c3ccnc(-c4cnc5cnc(Br)cn45)n3)C2)=CC1.CC1C(C2=CCN=C2)NCCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.CC1C(C2=CCN=C2)NCCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.OCC1CC(C2=CCN=C2)CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.

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

The InChIKey is AOCXPONKYBGHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N7O.C20H18BrN7.2C20H19F3N8.C19H18BrN7/c22-21(23,24)17-11-31-16(7-28-19(31)8-27-17)20-26-4-2-18(29-20)30-9-13(12-32)5-15(10-30)14-1-3-25-6-14;1-13-4-5-15(25-13)14-3-2-8-27(11-14)18-6-7-22-20(26-18)16-9-24-19-10-23-17(21)12-28(16)19;2*1-12-18(13-2-4-24-8-13)25-6-7-30(12)16-3-5-26-19(29-16)14-9-28-17-10-27-15(11-31(14)17)20(21,22)23;20-16-12-27-15(9-24-18(27)10-23-16)19-22-6-4-17(25-19)26-7-1-2-14(11-26)13-3-5-21-8-13/h1-2,4,6-8,11,13,15,32H,3,5,9-10,12H2;3,5-7,9-10,12H,2,4,8,11H2,1H3;2*2-3,5,8-12,18,25H,4,6-7H2,1H3;3-4,6,8-10,12,14H,1-2,5,7,11H2.

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

6-bromo-3-[4-[5-(2-methyl-3H-pyrrol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;bis(3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);[5-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol has a molecular weight of 2160.90 g/mol, XLogP of 14.43, 16 rotatable bonds, 3 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-3-[4-[5-(2-methyl-3H-pyrrol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;bis(3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);[5-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 157176989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).