4-[3,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]cyclohexa-2,4-dien-1-one;6-[3,6-dimethyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-2H-pyridin-3-one;3-[4-[2,5-dimethyl-3-[2-(trifluoromethyl)-3H-pyrrol-5-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine

C86H80F15N31O2 — CID 161164522

IUPAC4-[3,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]cyclohexa-2,4-dien-1-one;6-[3,6-dimethyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-2H-pyridin-3-one;3-[4-[2,5-dimethyl-3-[2-(trifluoromethyl)-3H-pyrrol-5-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C(C)C(C2=CCC(=O)C=C2)N1.CC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C(C)C(C2=CCC(C(F)(F)F)=N2)N1.CC1NCC(C)N(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1C1=NCC(=O)C=C1.FC(F)(F)c1cn2c(-c3nccc(N4CCCC(c5ncc[nH]5)C4)n3)cnc2cn1
InChIInChI=1S/C23H22F3N7O.C22H20F6N8.C22H21F3N8O.C19H17F3N8/c1-13-11-32(14(2)21(30-13)15-3-5-16(34)6-4-15)19-7-8-27-22(31-19)17-9-29-20-10-28-18(12-33(17)20)23(24,25)26;1-11-9-35(12(2)19(32-11)13-3-4-15(33-13)21(23,24)25)17-5-6-29-20(34-17)14-7-31-18-8-30-16(10-36(14)18)22(26,27)28;1-12-7-27-13(2)20(15-4-3-14(34)8-28-15)33(12)18-5-6-26-21(31-18)16-9-30-19-10-29-17(11-32(16)19)22(23,24)25;20-19(21,22)14-11-30-13(8-27-16(30)9-26-14)18-23-4-3-15(28-18)29-7-1-2-12(10-29)17-24-5-6-25-17/h3-5,7-10,12-14,21,30H,6,11H2,1-2H3;3,5-8,10-12,19,32H,4,9H2,1-2H3;3-6,9-13,20,27H,7-8H2,1-2H3;3-6,8-9,11-12H,1-2,7,10H2,(H,24,25)
InChIKeyUQISCAPVXIFVIM-UHFFFAOYSA-N
MW1864.77 g/mol
LogP12.92
Rot. Bonds12

About 4-[3,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]cyclohexa-2,4-dien-1-one;6-[3,6-dimethyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-2H-pyridin-3-one;3-[4-[2,5-dimethyl-3-[2-(trifluoromethyl)-3H-pyrrol-5-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine

4-[3,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]cyclohexa-2,4-dien-1-one;6-[3,6-dimethyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-2H-pyridin-3-one;3-[4-[2,5-dimethyl-3-[2-(trifluoromethyl)-3H-pyrrol-5-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 161164522) has the molecular formula C86H80F15N31O2 and a molecular weight of 1864.77 g/mol. Its IUPAC name is 4-[3,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]cyclohexa-2,4-dien-1-one;6-[3,6-dimethyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-2H-pyridin-3-one;3-[4-[2,5-dimethyl-3-[2-(trifluoromethyl)-3H-pyrrol-5-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name4-[3,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]cyclohexa-2,4-dien-1-one;6-[3,6-dimethyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-2H-pyridin-3-one;3-[4-[2,5-dimethyl-3-[2-(trifluoromethyl)-3H-pyrrol-5-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID161164522
Molecular FormulaC86H80F15N31O2
Molecular Weight1864.77 g/mol
Exact Mass1863.69
IUPAC Name4-[3,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]cyclohexa-2,4-dien-1-one;6-[3,6-dimethyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-2H-pyridin-3-one;3-[4-[2,5-dimethyl-3-[2-(trifluoromethyl)-3H-pyrrol-5-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C(C)C(C2=CCC(=O)C=C2)N1.CC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C(C)C(C2=CCC(C(F)(F)F)=N2)N1.CC1NCC(C)N(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1C1=NCC(=O)C=C1.FC(F)(F)c1cn2c(-c3nccc(N4CCCC(c5ncc[nH]5)C4)n3)cnc2cn1
InChIInChI=1S/C23H22F3N7O.C22H20F6N8.C22H21F3N8O.C19H17F3N8/c1-13-11-32(14(2)21(30-13)15-3-5-16(34)6-4-15)19-7-8-27-22(31-19)17-9-29-20-10-28-18(12-33(17)20)23(24,25)26;1-11-9-35(12(2)19(32-11)13-3-4-15(33-13)21(23,24)25)17-5-6-29-20(34-17)14-7-31-18-8-30-16(10-36(14)18)22(26,27)28;1-12-7-27-13(2)20(15-4-3-14(34)8-28-15)33(12)18-5-6-26-21(31-18)16-9-30-19-10-29-17(11-32(16)19)22(23,24)25;20-19(21,22)14-11-30-13(8-27-16(30)9-26-14)18-23-4-3-15(28-18)29-7-1-2-12(10-29)17-24-5-6-25-17/h3-5,7-10,12-14,21,30H,6,11H2,1-2H3;3,5-8,10-12,19,32H,4,9H2,1-2H3;3-6,9-13,20,27H,7-8H2,1-2H3;3-6,8-9,11-12H,1-2,7,10H2,(H,24,25)
InChIKeyUQISCAPVXIFVIM-UHFFFAOYSA-N
XLogP12.92
TPSA360.47 Ų
H-Bond Donors4
H-Bond Acceptors32
Rotatable Bonds12
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001864.77
LogP ≤ 512.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1032

Analyze 4-[3,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]cyclohexa-2,4-dien-1-one;6-[3,6-dimethyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-2H-pyridin-3-one;3-[4-[2,5-dimethyl-3-[2-(trifluoromethyl)-3H-pyrrol-5-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine with MolForge

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Related Compounds

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
3-[4-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[(3R)-3-(1H-imidazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[(3S)-3-(1H-imidazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 160496500
bis(3-[4-[3-(3-chloro-2H-pyrrol-4-yl)-5-methylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-(trifluoromethyl)-3-[4-[3-[3-(trifluoromethyl)-2H-pyrrol-5-yl]piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 161609465

Frequently Asked Questions

What is the IUPAC name of 4-[3,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]cyclohexa-2,4-dien-1-one;6-[3,6-dimethyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-2H-pyridin-3-one;3-[4-[2,5-dimethyl-3-[2-(trifluoromethyl)-3H-pyrrol-5-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 4-[3,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]cyclohexa-2,4-dien-1-one;6-[3,6-dimethyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-2H-pyridin-3-one;3-[4-[2,5-dimethyl-3-[2-(trifluoromethyl)-3H-pyrrol-5-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 161164522) is 4-[3,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]cyclohexa-2,4-dien-1-one;6-[3,6-dimethyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-2H-pyridin-3-one;3-[4-[2,5-dimethyl-3-[2-(trifluoromethyl)-3H-pyrrol-5-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 4-[3,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]cyclohexa-2,4-dien-1-one;6-[3,6-dimethyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-2H-pyridin-3-one;3-[4-[2,5-dimethyl-3-[2-(trifluoromethyl)-3H-pyrrol-5-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 4-[3,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]cyclohexa-2,4-dien-1-one;6-[3,6-dimethyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-2H-pyridin-3-one;3-[4-[2,5-dimethyl-3-[2-(trifluoromethyl)-3H-pyrrol-5-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is CC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C(C)C(C2=CCC(=O)C=C2)N1.CC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C(C)C(C2=CCC(C(F)(F)F)=N2)N1.CC1NCC(C)N(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1C1=NCC(=O)C=C1.FC(F)(F)c1cn2c(-c3nccc(N4CCCC(c5ncc[nH]5)C4)n3)cnc2cn1.
What is the InChIKey of 4-[3,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]cyclohexa-2,4-dien-1-one;6-[3,6-dimethyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-2H-pyridin-3-one;3-[4-[2,5-dimethyl-3-[2-(trifluoromethyl)-3H-pyrrol-5-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is UQISCAPVXIFVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N7O.C22H20F6N8.C22H21F3N8O.C19H17F3N8/c1-13-11-32(14(2)21(30-13)15-3-5-16(34)6-4-15)19-7-8-27-22(31-19)17-9-29-20-10-28-18(12-33(17)20)23(24,25)26;1-11-9-35(12(2)19(32-11)13-3-4-15(33-13)21(23,24)25)17-5-6-29-20(34-17)14-7-31-18-8-30-16(10-36(14)18)22(26,27)28;1-12-7-27-13(2)20(15-4-3-14(34)8-28-15)33(12)18-5-6-26-21(31-18)16-9-30-19-10-29-17(11-32(16)19)22(23,24)25;20-19(21,22)14-11-30-13(8-27-16(30)9-26-14)18-23-4-3-15(28-18)29-7-1-2-12(10-29)17-24-5-6-25-17/h3-5,7-10,12-14,21,30H,6,11H2,1-2H3;3,5-8,10-12,19,32H,4,9H2,1-2H3;3-6,9-13,20,27H,7-8H2,1-2H3;3-6,8-9,11-12H,1-2,7,10H2,(H,24,25).
What are the key properties of 4-[3,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]cyclohexa-2,4-dien-1-one;6-[3,6-dimethyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-2H-pyridin-3-one;3-[4-[2,5-dimethyl-3-[2-(trifluoromethyl)-3H-pyrrol-5-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
4-[3,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]cyclohexa-2,4-dien-1-one;6-[3,6-dimethyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-2H-pyridin-3-one;3-[4-[2,5-dimethyl-3-[2-(trifluoromethyl)-3H-pyrrol-5-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 1864.77 g/mol, XLogP of 12.92, 12 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]cyclohexa-2,4-dien-1-one;6-[3,6-dimethyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-2H-pyridin-3-one;3-[4-[2,5-dimethyl-3-[2-(trifluoromethyl)-3H-pyrrol-5-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 161164522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).