6-chloro-3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-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;3-[6-(6-oxo-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]imidazo[1,2-a]pyrazine-6-carboxamide;1-[4-[6-(6-pyrazol-1-ylimidazo[1,2-a]pyrazin-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone

C97H96ClF6N41O3 — CID 158734406

About 6-chloro-3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-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;3-[6-(6-oxo-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]imidazo[1,2-a]pyrazine-6-carboxamide;1-[4-[6-(6-pyrazol-1-ylimidazo[1,2-a]pyrazin-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone

6-chloro-3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-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;3-[6-(6-oxo-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]imidazo[1,2-a]pyrazine-6-carboxamide;1-[4-[6-(6-pyrazol-1-ylimidazo[1,2-a]pyrazin-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 158734406) has the molecular formula C97H96ClF6N41O3 and a molecular weight of 2033.56 g/mol. Its IUPAC name is 6-chloro-3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-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;3-[6-(6-oxo-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]imidazo[1,2-a]pyrazine-6-carboxamide;1-[4-[6-(6-pyrazol-1-ylimidazo[1,2-a]pyrazin-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 6-chloro-3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-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;3-[6-(6-oxo-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]imidazo[1,2-a]pyrazine-6-carboxamide;1-[4-[6-(6-pyrazol-1-ylimidazo[1,2-a]pyrazin-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone
• PubChem CID: 158734406
• Molecular Formula: C97H96ClF6N41O3
• Molecular Weight: 2033.56 g/mol
• Exact Mass: 2031.82
• IUPAC Name: 6-chloro-3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-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;3-[6-(6-oxo-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]imidazo[1,2-a]pyrazine-6-carboxamide;1-[4-[6-(6-pyrazol-1-ylimidazo[1,2-a]pyrazin-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone
• SMILES: CC(=O)N1CCN(c2cccc(-c3cnc4cnc(-n5cccn5)cn34)n2)CC1.CC1C(C2=CCN=C2)NCCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.CC1CN(c2ccnc(-c3cnc4cnc(Cl)cn34)n2)CC(c2cn[nH]c2)N1.CC1NCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1c1cn[nH]c1.NC(=O)c1cn2c(-c3cccc(N4CCN5C(=O)CCCC5C4)n3)cnc2cn1
• InChI: InChI=1S/C20H19F3N8.C20H20N8O.C20H21N7O2.C19H18F3N9.C18H18ClN9/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;1-15(29)25-8-10-26(11-9-25)18-5-2-4-16(24-18)17-12-21-19-13-22-20(14-27(17)19)28-7-3-6-23-28;21-20(29)15-12-27-16(9-23-18(27)10-22-15)14-4-2-5-17(24-14)25-7-8-26-13(11-25)3-1-6-19(26)28;1-11-17(12-6-27-28-7-12)30(5-4-23-11)15-2-3-24-18(29-15)13-8-26-16-9-25-14(10-31(13)16)19(20,21)22;1-11-8-27(9-13(25-11)12-4-23-24-5-12)16-2-3-20-18(26-16)14-6-22-17-7-21-15(19)10-28(14)17/h2-3,5,8-12,18,25H,4,6-7H2,1H3;2-7,12-14H,8-11H2,1H3;2,4-5,9-10,12-13H,1,3,6-8,11H2,(H2,21,29);2-3,6-11,17,23H,4-5H2,1H3,(H,27,28);2-7,10-11,13,25H,8-9H2,1H3,(H,23,24)
• InChIKey: ILMOARVFQLDDAH-UHFFFAOYSA-N
• XLogP: 9.69
• TPSA: 477.61 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 15
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2033.56
LogP ≤ 5	9.69
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-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;3-[6-(6-oxo-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]imidazo[1,2-a]pyrazine-6-carboxamide;1-[4-[6-(6-pyrazol-1-ylimidazo[1,2-a]pyrazin-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone?

The IUPAC name of 6-chloro-3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-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;3-[6-(6-oxo-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]imidazo[1,2-a]pyrazine-6-carboxamide;1-[4-[6-(6-pyrazol-1-ylimidazo[1,2-a]pyrazin-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone (CID 158734406) is 6-chloro-3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-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;3-[6-(6-oxo-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]imidazo[1,2-a]pyrazine-6-carboxamide;1-[4-[6-(6-pyrazol-1-ylimidazo[1,2-a]pyrazin-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone.

What is the SMILES notation for 6-chloro-3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-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;3-[6-(6-oxo-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]imidazo[1,2-a]pyrazine-6-carboxamide;1-[4-[6-(6-pyrazol-1-ylimidazo[1,2-a]pyrazin-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone?

The canonical SMILES for 6-chloro-3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-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;3-[6-(6-oxo-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]imidazo[1,2-a]pyrazine-6-carboxamide;1-[4-[6-(6-pyrazol-1-ylimidazo[1,2-a]pyrazin-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cccc(-c3cnc4cnc(-n5cccn5)cn34)n2)CC1.CC1C(C2=CCN=C2)NCCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.CC1CN(c2ccnc(-c3cnc4cnc(Cl)cn34)n2)CC(c2cn[nH]c2)N1.CC1NCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1c1cn[nH]c1.NC(=O)c1cn2c(-c3cccc(N4CCN5C(=O)CCCC5C4)n3)cnc2cn1.

What is the InChIKey of 6-chloro-3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-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;3-[6-(6-oxo-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]imidazo[1,2-a]pyrazine-6-carboxamide;1-[4-[6-(6-pyrazol-1-ylimidazo[1,2-a]pyrazin-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone?

The InChIKey is ILMOARVFQLDDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N8.C20H20N8O.C20H21N7O2.C19H18F3N9.C18H18ClN9/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;1-15(29)25-8-10-26(11-9-25)18-5-2-4-16(24-18)17-12-21-19-13-22-20(14-27(17)19)28-7-3-6-23-28;21-20(29)15-12-27-16(9-23-18(27)10-22-15)14-4-2-5-17(24-14)25-7-8-26-13(11-25)3-1-6-19(26)28;1-11-17(12-6-27-28-7-12)30(5-4-23-11)15-2-3-24-18(29-15)13-8-26-16-9-25-14(10-31(13)16)19(20,21)22;1-11-8-27(9-13(25-11)12-4-23-24-5-12)16-2-3-20-18(26-16)14-6-22-17-7-21-15(19)10-28(14)17/h2-3,5,8-12,18,25H,4,6-7H2,1H3;2-7,12-14H,8-11H2,1H3;2,4-5,9-10,12-13H,1,3,6-8,11H2,(H2,21,29);2-3,6-11,17,23H,4-5H2,1H3,(H,27,28);2-7,10-11,13,25H,8-9H2,1H3,(H,23,24).

What are the key properties of 6-chloro-3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-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;3-[6-(6-oxo-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]imidazo[1,2-a]pyrazine-6-carboxamide;1-[4-[6-(6-pyrazol-1-ylimidazo[1,2-a]pyrazin-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone?

6-chloro-3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-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;3-[6-(6-oxo-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]imidazo[1,2-a]pyrazine-6-carboxamide;1-[4-[6-(6-pyrazol-1-ylimidazo[1,2-a]pyrazin-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 2033.56 g/mol, XLogP of 9.69, 15 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;3-[4-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-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;3-[6-(6-oxo-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]imidazo[1,2-a]pyrazine-6-carboxamide;1-[4-[6-(6-pyrazol-1-ylimidazo[1,2-a]pyrazin-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 158734406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).