3-[4-[2,5-dimethyl-3-(1-methylpyrazol-4-yl)piperazin-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]-6-fluoropyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[2-methyl-3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine)

C80H76F13N33 — CID 158683967

IUPAC3-[4-[2,5-dimethyl-3-(1-methylpyrazol-4-yl)piperazin-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]-6-fluoropyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[2-methyl-3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine)
SMILESCC1C(c2cn[nH]c2)CCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.CC1C(c2cn[nH]c2)CCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.CC1CN(c2cc(F)nc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C(C)C(C2=CCN=C2)N1.CC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C(C)C(c2cnn(C)c2)N1
InChIInChI=1S/C21H20F4N8.C21H22F3N9.2C19H17F3N8/c1-11-9-32(12(2)19(29-11)13-3-4-26-6-13)17-5-16(22)30-20(31-17)14-7-28-18-8-27-15(10-33(14)18)21(23,24)25;1-12-9-32(13(2)19(29-12)14-6-28-31(3)10-14)17-4-5-25-20(30-17)15-7-27-18-8-26-16(11-33(15)18)21(22,23)24;2*1-11-13(12-6-26-27-7-12)3-5-29(11)16-2-4-23-18(28-16)14-8-25-17-9-24-15(10-30(14)17)19(20,21)22/h3,5-8,10-12,19,29H,4,9H2,1-2H3;4-8,10-13,19,29H,9H2,1-3H3;2*2,4,6-11,13H,3,5H2,1H3,(H,26,27)
InChIKeyIFMMSCBQOURXGH-UHFFFAOYSA-N
MW1746.69 g/mol
LogP12.40
Rot. Bonds12

About 3-[4-[2,5-dimethyl-3-(1-methylpyrazol-4-yl)piperazin-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]-6-fluoropyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[2-methyl-3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine)

3-[4-[2,5-dimethyl-3-(1-methylpyrazol-4-yl)piperazin-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]-6-fluoropyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[2-methyl-3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine) (PubChem CID 158683967) has the molecular formula C80H76F13N33 and a molecular weight of 1746.69 g/mol. Its IUPAC name is 3-[4-[2,5-dimethyl-3-(1-methylpyrazol-4-yl)piperazin-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]-6-fluoropyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[2-methyl-3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine).

Molecular Properties

Compound Name3-[4-[2,5-dimethyl-3-(1-methylpyrazol-4-yl)piperazin-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]-6-fluoropyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[2-methyl-3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine)
PubChem CID158683967
Molecular FormulaC80H76F13N33
Molecular Weight1746.69 g/mol
Exact Mass1745.68
IUPAC Name3-[4-[2,5-dimethyl-3-(1-methylpyrazol-4-yl)piperazin-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]-6-fluoropyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[2-methyl-3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine)
SMILESCC1C(c2cn[nH]c2)CCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.CC1C(c2cn[nH]c2)CCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.CC1CN(c2cc(F)nc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C(C)C(C2=CCN=C2)N1.CC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C(C)C(c2cnn(C)c2)N1
InChIInChI=1S/C21H20F4N8.C21H22F3N9.2C19H17F3N8/c1-11-9-32(12(2)19(29-11)13-3-4-26-6-13)17-5-16(22)30-20(31-17)14-7-28-18-8-27-15(10-33(14)18)21(23,24)25;1-12-9-32(13(2)19(29-12)14-6-28-31(3)10-14)17-4-5-25-20(30-17)15-7-27-18-8-26-16(11-33(15)18)21(22,23)24;2*1-11-13(12-6-26-27-7-12)3-5-29(11)16-2-4-23-18(28-16)14-8-25-17-9-24-15(10-30(14)17)19(20,21)22/h3,5-8,10-12,19,29H,4,9H2,1-2H3;4-8,10-13,19,29H,9H2,1-3H3;2*2,4,6-11,13H,3,5H2,1H3,(H,26,27)
InChIKeyIFMMSCBQOURXGH-UHFFFAOYSA-N
XLogP12.40
TPSA348.44 Ų
H-Bond Donors4
H-Bond Acceptors31
Rotatable Bonds12
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001746.69
LogP ≤ 512.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1031

Analyze 3-[4-[2,5-dimethyl-3-(1-methylpyrazol-4-yl)piperazin-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]-6-fluoropyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[2-methyl-3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139343209
3-[2-[(3R,5R)-3-(5-fluoro-1H-pyrazol-4-yl)-5-methylpiperidin-1-yl]-1H-pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139343346
3-[4-[(3R,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139343347
3-[4-[2-methyl-3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139343425
3-[4-[4-ethyl-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139343506
3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139343565
3-[4-[(3R,5S)-3-(5-fluoro-1H-pyrazol-4-yl)-5-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139343606
3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139343647
3-[4-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139343659
3-[2-[(3S,5R)-3-(5-fluoro-1H-pyrazol-4-yl)-5-methylpiperidin-1-yl]-1H-pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139343711
3-[4-[2-methyl-5-propan-2-yl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139343726
3-[4-[(3S,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139343936

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2,5-dimethyl-3-(1-methylpyrazol-4-yl)piperazin-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]-6-fluoropyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[2-methyl-3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine)?
The IUPAC name of 3-[4-[2,5-dimethyl-3-(1-methylpyrazol-4-yl)piperazin-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]-6-fluoropyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[2-methyl-3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine) (CID 158683967) is 3-[4-[2,5-dimethyl-3-(1-methylpyrazol-4-yl)piperazin-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]-6-fluoropyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[2-methyl-3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine).
What is the SMILES notation for 3-[4-[2,5-dimethyl-3-(1-methylpyrazol-4-yl)piperazin-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]-6-fluoropyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[2-methyl-3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine)?
The canonical SMILES for 3-[4-[2,5-dimethyl-3-(1-methylpyrazol-4-yl)piperazin-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]-6-fluoropyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[2-methyl-3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine) is CC1C(c2cn[nH]c2)CCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.CC1C(c2cn[nH]c2)CCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.CC1CN(c2cc(F)nc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C(C)C(C2=CCN=C2)N1.CC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C(C)C(c2cnn(C)c2)N1.
What is the InChIKey of 3-[4-[2,5-dimethyl-3-(1-methylpyrazol-4-yl)piperazin-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]-6-fluoropyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[2-methyl-3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine)?
The InChIKey is IFMMSCBQOURXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F4N8.C21H22F3N9.2C19H17F3N8/c1-11-9-32(12(2)19(29-11)13-3-4-26-6-13)17-5-16(22)30-20(31-17)14-7-28-18-8-27-15(10-33(14)18)21(23,24)25;1-12-9-32(13(2)19(29-12)14-6-28-31(3)10-14)17-4-5-25-20(30-17)15-7-27-18-8-26-16(11-33(15)18)21(22,23)24;2*1-11-13(12-6-26-27-7-12)3-5-29(11)16-2-4-23-18(28-16)14-8-25-17-9-24-15(10-30(14)17)19(20,21)22/h3,5-8,10-12,19,29H,4,9H2,1-2H3;4-8,10-13,19,29H,9H2,1-3H3;2*2,4,6-11,13H,3,5H2,1H3,(H,26,27).
What are the key properties of 3-[4-[2,5-dimethyl-3-(1-methylpyrazol-4-yl)piperazin-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]-6-fluoropyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[2-methyl-3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine)?
3-[4-[2,5-dimethyl-3-(1-methylpyrazol-4-yl)piperazin-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]-6-fluoropyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[2-methyl-3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine) has a molecular weight of 1746.69 g/mol, XLogP of 12.40, 12 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2,5-dimethyl-3-(1-methylpyrazol-4-yl)piperazin-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]-6-fluoropyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[2-methyl-3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine) is sourced from PubChem (CID 158683967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).