6-bromo-3-[4-[4-ethyl-2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-(1H-imidazol-5-yl)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-ol

C102H100Br2F9N37O — CID 159695630

IUPAC6-bromo-3-[4-[4-ethyl-2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-(1H-imidazol-5-yl)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-ol
SMILESCC1C(C2=CCN=C2)CCCN1c1ccnc(-c2cnc3cnc(Br)cn23)n1.CC1C(C2=CCN=C2)CCCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.CC1C(c2cnc[nH]2)CCCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.CCN1CCN(c2ccnc(-c3cnc4cnc(Br)cn34)n2)C(C)C1C1=CCN=C1.OC1(C2=CCN=C2)CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C21H23BrN8.C21H20F3N7.C20H20BrN7.C20H19F3N8.C20H18F3N7O/c1-3-28-8-9-29(14(2)20(28)15-4-6-23-10-15)18-5-7-24-21(27-18)16-11-26-19-12-25-17(22)13-30(16)19;1-13-15(14-4-6-25-9-14)3-2-8-30(13)18-5-7-26-20(29-18)16-10-28-19-11-27-17(12-31(16)19)21(22,23)24;1-13-15(14-4-6-22-9-14)3-2-8-27(13)18-5-7-23-20(26-18)16-10-25-19-11-24-17(21)12-28(16)19;1-12-13(14-7-24-11-28-14)3-2-6-30(12)17-4-5-25-19(29-17)15-8-27-18-9-26-16(10-31(15)18)20(21,22)23;21-20(22,23)15-11-30-14(9-27-17(30)10-26-15)18-25-6-3-16(28-18)29-7-1-4-19(31,12-29)13-2-5-24-8-13/h4-5,7,10-14,20H,3,6,8-9H2,1-2H3;4-5,7,9-13,15H,2-3,6,8H2,1H3;4-5,7,9-13,15H,2-3,6,8H2,1H3;4-5,7-13H,2-3,6H2,1H3,(H,24,28);2-3,6,8-11,31H,1,4-5,7,12H2
InChIKeyMWYUFQVAJPZRAZ-UHFFFAOYSA-N
MW2190.97 g/mol
LogP16.49
Rot. Bonds16

About 6-bromo-3-[4-[4-ethyl-2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-(1H-imidazol-5-yl)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-ol

6-bromo-3-[4-[4-ethyl-2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-(1H-imidazol-5-yl)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-ol (PubChem CID 159695630) has the molecular formula C102H100Br2F9N37O and a molecular weight of 2190.97 g/mol. Its IUPAC name is 6-bromo-3-[4-[4-ethyl-2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-(1H-imidazol-5-yl)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name6-bromo-3-[4-[4-ethyl-2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-(1H-imidazol-5-yl)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-ol
PubChem CID159695630
Molecular FormulaC102H100Br2F9N37O
Molecular Weight2190.97 g/mol
Exact Mass2187.71
IUPAC Name6-bromo-3-[4-[4-ethyl-2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-(1H-imidazol-5-yl)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-ol
SMILESCC1C(C2=CCN=C2)CCCN1c1ccnc(-c2cnc3cnc(Br)cn23)n1.CC1C(C2=CCN=C2)CCCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.CC1C(c2cnc[nH]2)CCCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.CCN1CCN(c2ccnc(-c3cnc4cnc(Br)cn34)n2)C(C)C1C1=CCN=C1.OC1(C2=CCN=C2)CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C21H23BrN8.C21H20F3N7.C20H20BrN7.C20H19F3N8.C20H18F3N7O/c1-3-28-8-9-29(14(2)20(28)15-4-6-23-10-15)18-5-7-24-21(27-18)16-11-26-19-12-25-17(22)13-30(16)19;1-13-15(14-4-6-25-9-14)3-2-8-30(13)18-5-7-26-20(29-18)16-10-28-19-11-27-17(12-31(16)19)21(22,23)24;1-13-15(14-4-6-22-9-14)3-2-8-27(13)18-5-7-23-20(26-18)16-10-25-19-11-24-17(21)12-28(16)19;1-12-13(14-7-24-11-28-14)3-2-6-30(12)17-4-5-25-19(29-17)15-8-27-18-9-26-16(10-31(15)18)20(21,22)23;21-20(22,23)15-11-30-14(9-27-17(30)10-26-15)18-25-6-3-16(28-18)29-7-1-4-19(31,12-29)13-2-5-24-8-13/h4-5,7,10-14,20H,3,6,8-9H2,1-2H3;4-5,7,9-13,15H,2-3,6,8H2,1H3;4-5,7,9-13,15H,2-3,6,8H2,1H3;4-5,7-13H,2-3,6H2,1H3,(H,24,28);2-3,6,8-11,31H,1,4-5,7,12H2
InChIKeyMWYUFQVAJPZRAZ-UHFFFAOYSA-N
XLogP16.49
TPSA397.64 Ų
H-Bond Donors2
H-Bond Acceptors37
Rotatable Bonds16
Heavy Atoms151
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002190.97
LogP ≤ 516.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1037

Analyze 6-bromo-3-[4-[4-ethyl-2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-(1H-imidazol-5-yl)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[4-[4-ethyl-2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-(1H-imidazol-5-yl)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-ol?
The IUPAC name of 6-bromo-3-[4-[4-ethyl-2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-(1H-imidazol-5-yl)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-ol (CID 159695630) is 6-bromo-3-[4-[4-ethyl-2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-(1H-imidazol-5-yl)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-ol.
What is the SMILES notation for 6-bromo-3-[4-[4-ethyl-2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-(1H-imidazol-5-yl)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-ol?
The canonical SMILES for 6-bromo-3-[4-[4-ethyl-2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-(1H-imidazol-5-yl)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-ol is CC1C(C2=CCN=C2)CCCN1c1ccnc(-c2cnc3cnc(Br)cn23)n1.CC1C(C2=CCN=C2)CCCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.CC1C(c2cnc[nH]2)CCCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.CCN1CCN(c2ccnc(-c3cnc4cnc(Br)cn34)n2)C(C)C1C1=CCN=C1.OC1(C2=CCN=C2)CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.
What is the InChIKey of 6-bromo-3-[4-[4-ethyl-2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-(1H-imidazol-5-yl)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-ol?
The InChIKey is MWYUFQVAJPZRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN8.C21H20F3N7.C20H20BrN7.C20H19F3N8.C20H18F3N7O/c1-3-28-8-9-29(14(2)20(28)15-4-6-23-10-15)18-5-7-24-21(27-18)16-11-26-19-12-25-17(22)13-30(16)19;1-13-15(14-4-6-25-9-14)3-2-8-30(13)18-5-7-26-20(29-18)16-10-28-19-11-27-17(12-31(16)19)21(22,23)24;1-13-15(14-4-6-22-9-14)3-2-8-27(13)18-5-7-23-20(26-18)16-10-25-19-11-24-17(21)12-28(16)19;1-12-13(14-7-24-11-28-14)3-2-6-30(12)17-4-5-25-19(29-17)15-8-27-18-9-26-16(10-31(15)18)20(21,22)23;21-20(22,23)15-11-30-14(9-27-17(30)10-26-15)18-25-6-3-16(28-18)29-7-1-4-19(31,12-29)13-2-5-24-8-13/h4-5,7,10-14,20H,3,6,8-9H2,1-2H3;4-5,7,9-13,15H,2-3,6,8H2,1H3;4-5,7,9-13,15H,2-3,6,8H2,1H3;4-5,7-13H,2-3,6H2,1H3,(H,24,28);2-3,6,8-11,31H,1,4-5,7,12H2.
What are the key properties of 6-bromo-3-[4-[4-ethyl-2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-(1H-imidazol-5-yl)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-ol?
6-bromo-3-[4-[4-ethyl-2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-(1H-imidazol-5-yl)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-ol has a molecular weight of 2190.97 g/mol, XLogP of 16.49, 16 rotatable bonds, 2 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[4-[4-ethyl-2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-bromo-3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-(1H-imidazol-5-yl)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 159695630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).