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

C77H75F11N32O — CID 160988919

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

6-(difluoromethyl)-3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide (PubChem CID 160988919) has the molecular formula C77H75F11N32O and a molecular weight of 1673.65 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(difluoromethyl)-3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
• PubChem CID: 160988919
• Molecular Formula: C77H75F11N32O
• Molecular Weight: 1673.65 g/mol
• Exact Mass: 1672.66
• IUPAC Name: 6-(difluoromethyl)-3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
• SMILES: CC1C(C(N)=O)CCCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.CC1C(C2=CCN=C2)NCCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.CC1NCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1c1cn[nH]c1.Cc1[nH]ncc1C1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
• InChI: InChI=1S/2C20H19F3N8.C19H19F2N9.C18H18F3N7O/c1-12-18(13-2-4-24-8-13)25-6-7-30(12)16-3-5-26-19(29-16)14-9-28-17-10-27-15(11-31(14)17)20(21,22)23;1-12-14(7-27-29-12)13-3-2-6-30(10-13)17-4-5-24-19(28-17)15-8-26-18-9-25-16(11-31(15)18)20(21,22)23;1-11-17(12-6-26-27-7-12)29(5-4-22-11)15-2-3-23-19(28-15)14-8-25-16-9-24-13(18(20)21)10-30(14)16;1-10-11(16(22)29)3-2-6-27(10)14-4-5-23-17(26-14)12-7-25-15-8-24-13(9-28(12)15)18(19,20)21/h2-3,5,8-12,18,25H,4,6-7H2,1H3;4-5,7-9,11,13H,2-3,6,10H2,1H3,(H,27,29);2-3,6-11,17-18,22H,4-5H2,1H3,(H,26,27);4-5,7-11H,2-3,6H2,1H3,(H2,22,29)
• InChIKey: TUIZIGAHXSFNIB-UHFFFAOYSA-N
• XLogP: 10.68
• TPSA: 373.71 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 13
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1673.65
LogP ≤ 5	10.68
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

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

The IUPAC name of 6-(difluoromethyl)-3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide (CID 160988919) is 6-(difluoromethyl)-3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide.

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

The canonical SMILES for 6-(difluoromethyl)-3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide is CC1C(C(N)=O)CCCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.CC1C(C2=CCN=C2)NCCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.CC1NCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1c1cn[nH]c1.Cc1[nH]ncc1C1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.

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

The InChIKey is TUIZIGAHXSFNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H19F3N8.C19H19F2N9.C18H18F3N7O/c1-12-18(13-2-4-24-8-13)25-6-7-30(12)16-3-5-26-19(29-16)14-9-28-17-10-27-15(11-31(14)17)20(21,22)23;1-12-14(7-27-29-12)13-3-2-6-30(10-13)17-4-5-24-19(28-17)15-8-26-18-9-25-16(11-31(15)18)20(21,22)23;1-11-17(12-6-26-27-7-12)29(5-4-22-11)15-2-3-23-19(28-15)14-8-25-16-9-24-13(18(20)21)10-30(14)16;1-10-11(16(22)29)3-2-6-27(10)14-4-5-23-17(26-14)12-7-25-15-8-24-13(9-28(12)15)18(19,20)21/h2-3,5,8-12,18,25H,4,6-7H2,1H3;4-5,7-9,11,13H,2-3,6,10H2,1H3,(H,27,29);2-3,6-11,17-18,22H,4-5H2,1H3,(H,26,27);4-5,7-11H,2-3,6H2,1H3,(H2,22,29).

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

6-(difluoromethyl)-3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide has a molecular weight of 1673.65 g/mol, XLogP of 10.68, 13 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(difluoromethyl)-3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 160988919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).