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

C78H78F10N36 — CID 158934614

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

bis(6-(difluoromethyl)-3-[4-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);bis(3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine) (PubChem CID 158934614) has the molecular formula C78H78F10N36 and a molecular weight of 1709.71 g/mol. Its IUPAC name is bis(6-(difluoromethyl)-3-[4-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);bis(3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine).

Molecular Properties

• Compound Name: bis(6-(difluoromethyl)-3-[4-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);bis(3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine)
• PubChem CID: 158934614
• Molecular Formula: C78H78F10N36
• Molecular Weight: 1709.71 g/mol
• Exact Mass: 1708.71
• IUPAC Name: bis(6-(difluoromethyl)-3-[4-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);bis(3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine)
• SMILES: CC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(c2cn[nH]c2)N1.CC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(c2cn[nH]c2)N1.Cc1[nH]ncc1C1CN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CC(C)N1.Cc1[nH]ncc1C1CN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CC(C)N1
• InChI: InChI=1S/2C20H21F2N9.2C19H18F3N9/c2*1-11-8-30(9-14(27-11)13-5-26-29-12(13)2)17-3-4-23-20(28-17)16-6-25-18-7-24-15(19(21)22)10-31(16)18;2*1-11-8-30(9-13(28-11)12-4-26-27-5-12)16-2-3-23-18(29-16)14-6-25-17-7-24-15(10-31(14)17)19(20,21)22/h2*3-7,10-11,14,19,27H,8-9H2,1-2H3,(H,26,29);2*2-7,10-11,13,28H,8-9H2,1H3,(H,26,27)
• InChIKey: JJMLHKAGBKLEOC-UHFFFAOYSA-N
• XLogP: 10.32
• TPSA: 399.68 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 14
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1709.71
LogP ≤ 5	10.32
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of bis(6-(difluoromethyl)-3-[4-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);bis(3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine)?

The IUPAC name of bis(6-(difluoromethyl)-3-[4-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);bis(3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine) (CID 158934614) is bis(6-(difluoromethyl)-3-[4-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);bis(3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine).

What is the SMILES notation for bis(6-(difluoromethyl)-3-[4-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);bis(3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine)?

The canonical SMILES for bis(6-(difluoromethyl)-3-[4-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);bis(3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine) is CC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(c2cn[nH]c2)N1.CC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(c2cn[nH]c2)N1.Cc1[nH]ncc1C1CN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CC(C)N1.Cc1[nH]ncc1C1CN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CC(C)N1.

What is the InChIKey of bis(6-(difluoromethyl)-3-[4-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);bis(3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine)?

The InChIKey is JJMLHKAGBKLEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H21F2N9.2C19H18F3N9/c2*1-11-8-30(9-14(27-11)13-5-26-29-12(13)2)17-3-4-23-20(28-17)16-6-25-18-7-24-15(19(21)22)10-31(16)18;2*1-11-8-30(9-13(28-11)12-4-26-27-5-12)16-2-3-23-18(29-16)14-6-25-17-7-24-15(10-31(14)17)19(20,21)22/h2*3-7,10-11,14,19,27H,8-9H2,1-2H3,(H,26,29);2*2-7,10-11,13,28H,8-9H2,1H3,(H,26,27).

What are the key properties of bis(6-(difluoromethyl)-3-[4-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);bis(3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine)?

bis(6-(difluoromethyl)-3-[4-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);bis(3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine) has a molecular weight of 1709.71 g/mol, XLogP of 10.32, 14 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for bis(6-(difluoromethyl)-3-[4-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);bis(3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine) is sourced from PubChem (CID 158934614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).