3-[4-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-[4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-5-yl]-2H-pyrrole-5-carbonitrile

C99H87F15N40 — CID 159985920

About 3-[4-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-[4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-5-yl]-2H-pyrrole-5-carbonitrile

3-[4-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-[4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-5-yl]-2H-pyrrole-5-carbonitrile (PubChem CID 159985920) has the molecular formula C99H87F15N40 and a molecular weight of 2122.03 g/mol. Its IUPAC name is 3-[4-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-[4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-5-yl]-2H-pyrrole-5-carbonitrile.

Molecular Properties

• Compound Name: 3-[4-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-[4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-5-yl]-2H-pyrrole-5-carbonitrile
• PubChem CID: 159985920
• Molecular Formula: C99H87F15N40
• Molecular Weight: 2122.03 g/mol
• Exact Mass: 2120.78
• IUPAC Name: 3-[4-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-[4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-5-yl]-2H-pyrrole-5-carbonitrile
• SMILES: CC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C(C)C(c2cnc[nH]2)N1.FC(F)(F)c1cn2c(-c3nccc(N4CCCC(C5=CCN=C5)C4)n3)cnc2cn1.FC(F)(F)c1cn2c(-c3nccc(N4CCCC(C5=CCN=C5)C4)n3)cnc2cn1.FC(F)(F)c1cn2c(-c3nccc(N4CCCC(n5cncn5)C4)n3)cnc2cn1.N#CC1=NCC=C1C1=CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
• InChI: InChI=1S/C21H15F3N8.C20H20F3N9.2C20H18F3N7.C18H16F3N9/c22-21(23,24)17-12-32-16(9-29-19(32)10-28-17)20-27-6-4-18(30-20)31-7-1-2-13(11-31)14-3-5-26-15(14)8-25;1-11-8-31(12(2)18(29-11)13-5-24-10-28-13)16-3-4-25-19(30-16)14-6-27-17-7-26-15(9-32(14)17)20(21,22)23;2*21-20(22,23)16-12-30-15(9-27-18(30)10-26-16)19-25-6-4-17(28-19)29-7-1-2-14(11-29)13-3-5-24-8-13;19-18(20,21)14-9-29-13(6-25-16(29)7-24-14)17-23-4-3-15(27-17)28-5-1-2-12(8-28)30-11-22-10-26-30/h2-4,6,9-10,12H,1,5,7,11H2;3-7,9-12,18,29H,8H2,1-2H3,(H,24,28);2*3-4,6,8-10,12,14H,1-2,5,7,11H2;3-4,6-7,9-12H,1-2,5,8H2
• InChIKey: OGIHXOQMJSKRAH-UHFFFAOYSA-N
• XLogP: 15.60
• TPSA: 428.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 39
• Rotatable Bonds: 15
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2122.03
LogP ≤ 5	15.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-[4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-5-yl]-2H-pyrrole-5-carbonitrile?

The IUPAC name of 3-[4-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-[4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-5-yl]-2H-pyrrole-5-carbonitrile (CID 159985920) is 3-[4-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-[4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-5-yl]-2H-pyrrole-5-carbonitrile.

What is the SMILES notation for 3-[4-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-[4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-5-yl]-2H-pyrrole-5-carbonitrile?

The canonical SMILES for 3-[4-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-[4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-5-yl]-2H-pyrrole-5-carbonitrile is CC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C(C)C(c2cnc[nH]2)N1.FC(F)(F)c1cn2c(-c3nccc(N4CCCC(C5=CCN=C5)C4)n3)cnc2cn1.FC(F)(F)c1cn2c(-c3nccc(N4CCCC(C5=CCN=C5)C4)n3)cnc2cn1.FC(F)(F)c1cn2c(-c3nccc(N4CCCC(n5cncn5)C4)n3)cnc2cn1.N#CC1=NCC=C1C1=CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.

What is the InChIKey of 3-[4-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-[4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-5-yl]-2H-pyrrole-5-carbonitrile?

The InChIKey is OGIHXOQMJSKRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N8.C20H20F3N9.2C20H18F3N7.C18H16F3N9/c22-21(23,24)17-12-32-16(9-29-19(32)10-28-17)20-27-6-4-18(30-20)31-7-1-2-13(11-31)14-3-5-26-15(14)8-25;1-11-8-31(12(2)18(29-11)13-5-24-10-28-13)16-3-4-25-19(30-16)14-6-27-17-7-26-15(9-32(14)17)20(21,22)23;2*21-20(22,23)16-12-30-15(9-27-18(30)10-26-16)19-25-6-4-17(28-19)29-7-1-2-14(11-29)13-3-5-24-8-13;19-18(20,21)14-9-29-13(6-25-16(29)7-24-14)17-23-4-3-15(27-17)28-5-1-2-12(8-28)30-11-22-10-26-30/h2-4,6,9-10,12H,1,5,7,11H2;3-7,9-12,18,29H,8H2,1-2H3,(H,24,28);2*3-4,6,8-10,12,14H,1-2,5,7,11H2;3-4,6-7,9-12H,1-2,5,8H2.

What are the key properties of 3-[4-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-[4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-5-yl]-2H-pyrrole-5-carbonitrile?

3-[4-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-[4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-5-yl]-2H-pyrrole-5-carbonitrile has a molecular weight of 2122.03 g/mol, XLogP of 15.60, 15 rotatable bonds, 2 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[3-(1H-imidazol-5-yl)-2,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-[4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-5-yl]-2H-pyrrole-5-carbonitrile is sourced from PubChem (CID 159985920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).