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

C76H70F12N34 — CID 160773263

IUPAC3-[4-[3-(1H-imidazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-[4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCc1[nH]ncc1C1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(C)N1.Cc1[nH]ncc1C1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(C)N1.FC(F)(F)c1cn2c(-c3nccc(N4CCC(c5ccn[nH]5)C4)n3)cnc2cn1.FC(F)(F)c1cn2c(-c3nccc(N4CCC(c5cnc[nH]5)C4)n3)cnc2cn1
InChIInChI=1S/2C20H20F3N9.2C18H15F3N8/c2*1-11-8-31(9-14(28-11)13-5-27-30-12(13)2)17-3-4-24-19(29-17)15-6-26-18-7-25-16(10-32(15)18)20(21,22)23;19-18(20,21)14-10-29-13(7-24-16(29)8-23-14)17-22-4-2-15(26-17)28-6-3-11(9-28)12-1-5-25-27-12;19-18(20,21)14-9-29-13(6-25-16(29)7-24-14)17-23-3-1-15(27-17)28-4-2-11(8-28)12-5-22-10-26-12/h2*3-7,10-11,14,28H,8-9H2,1-2H3,(H,27,30);1-2,4-5,7-8,10-11H,3,6,9H2,(H,25,27);1,3,5-7,9-11H,2,4,8H2,(H,22,26)
InChIKeyRZPISGXIYUONLJ-UHFFFAOYSA-N
MW1687.61 g/mol
LogP11.40
Rot. Bonds12

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

3-[4-[3-(1H-imidazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-[4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 160773263) has the molecular formula C76H70F12N34 and a molecular weight of 1687.61 g/mol. Its IUPAC name is 3-[4-[3-(1H-imidazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-[4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-[4-[3-(1H-imidazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-[4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID160773263
Molecular FormulaC76H70F12N34
Molecular Weight1687.61 g/mol
Exact Mass1686.63
IUPAC Name3-[4-[3-(1H-imidazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-[4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCc1[nH]ncc1C1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(C)N1.Cc1[nH]ncc1C1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(C)N1.FC(F)(F)c1cn2c(-c3nccc(N4CCC(c5ccn[nH]5)C4)n3)cnc2cn1.FC(F)(F)c1cn2c(-c3nccc(N4CCC(c5cnc[nH]5)C4)n3)cnc2cn1
InChIInChI=1S/2C20H20F3N9.2C18H15F3N8/c2*1-11-8-31(9-14(28-11)13-5-27-30-12(13)2)17-3-4-24-19(29-17)15-6-26-18-7-25-16(10-32(15)18)20(21,22)23;19-18(20,21)14-10-29-13(7-24-16(29)8-23-14)17-22-4-2-15(26-17)28-6-3-11(9-28)12-1-5-25-27-12;19-18(20,21)14-9-29-13(6-25-16(29)7-24-14)17-23-3-1-15(27-17)28-4-2-11(8-28)12-5-22-10-26-12/h2*3-7,10-11,14,28H,8-9H2,1-2H3,(H,27,30);1-2,4-5,7-8,10-11H,3,6,9H2,(H,25,27);1,3,5-7,9-11H,2,4,8H2,(H,22,26)
InChIKeyRZPISGXIYUONLJ-UHFFFAOYSA-N
XLogP11.40
TPSA375.62 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds12
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001687.61
LogP ≤ 511.40
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

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

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Related Compounds

3-[4-[2-methyl-3-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139344694
N-[3-[2-[1-[[2-[3-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluoroanilino]ethyl-methylamino]methyl]-5-[5-(propan-2-ylamino)-3-pyridinyl]pyrazolo[5,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 137246347
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-[4-[(2-methyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139344281
3-[2-[(2R,5R)-2,5-dimethyl-3-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139344355
3-[2-[(2S,5S)-2,5-dimethyl-3-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139344419
3-[4-[4-[(2-tert-butyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139344446
3-[4-[4-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139344867
3-[4-[4-(1H-imidazol-5-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139344883
6-(difluoromethyl)-3-[4-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 139357711
6-(difluoromethyl)-3-[4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 139357714
6-(difluoromethyl)-3-[4-[3-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 139357995

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(1H-imidazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-[4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 3-[4-[3-(1H-imidazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-[4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 160773263) is 3-[4-[3-(1H-imidazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-[4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-[4-[3-(1H-imidazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-[4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-[4-[3-(1H-imidazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-[4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is Cc1[nH]ncc1C1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(C)N1.Cc1[nH]ncc1C1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(C)N1.FC(F)(F)c1cn2c(-c3nccc(N4CCC(c5ccn[nH]5)C4)n3)cnc2cn1.FC(F)(F)c1cn2c(-c3nccc(N4CCC(c5cnc[nH]5)C4)n3)cnc2cn1.
What is the InChIKey of 3-[4-[3-(1H-imidazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-[4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is RZPISGXIYUONLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H20F3N9.2C18H15F3N8/c2*1-11-8-31(9-14(28-11)13-5-27-30-12(13)2)17-3-4-24-19(29-17)15-6-26-18-7-25-16(10-32(15)18)20(21,22)23;19-18(20,21)14-10-29-13(7-24-16(29)8-23-14)17-22-4-2-15(26-17)28-6-3-11(9-28)12-1-5-25-27-12;19-18(20,21)14-9-29-13(6-25-16(29)7-24-14)17-23-3-1-15(27-17)28-4-2-11(8-28)12-5-22-10-26-12/h2*3-7,10-11,14,28H,8-9H2,1-2H3,(H,27,30);1-2,4-5,7-8,10-11H,3,6,9H2,(H,25,27);1,3,5-7,9-11H,2,4,8H2,(H,22,26).
What are the key properties of 3-[4-[3-(1H-imidazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-[4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
3-[4-[3-(1H-imidazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-[4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 1687.61 g/mol, XLogP of 11.40, 12 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(1H-imidazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-[4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 160773263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).