3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile;3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxylic acid;N-[[1-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methyl]methanesulfonamide;N-[[(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)morpholine

C86H88BrF4N37O9S2 — CID 157434085

About 3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile;3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxylic acid;N-[[1-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methyl]methanesulfonamide;N-[[(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)morpholine

3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile;3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxylic acid;N-[[1-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methyl]methanesulfonamide;N-[[(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)morpholine (PubChem CID 157434085) has the molecular formula C86H88BrF4N37O9S2 and a molecular weight of 2003.93 g/mol. Its IUPAC name is 3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile;3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxylic acid;N-[[1-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methyl]methanesulfonamide;N-[[(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)morpholine.

Molecular Properties

• Compound Name: 3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile;3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxylic acid;N-[[1-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methyl]methanesulfonamide;N-[[(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)morpholine
• PubChem CID: 157434085
• Molecular Formula: C86H88BrF4N37O9S2
• Molecular Weight: 2003.93 g/mol
• Exact Mass: 2001.61
• IUPAC Name: 3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile;3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxylic acid;N-[[1-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methyl]methanesulfonamide;N-[[(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)morpholine
• SMILES: CC(=O)N1CCN(c2ccnc(-c3cnc4cnc(C#N)cn34)n2)CC1.CC(=O)N1CCN(c2ccnc(-c3cnc4cnc(C(=O)O)cn34)n2)CC1.CS(=O)(=O)NCC1CCN(c2ccnc(-c3cnc4cnc(Br)cn34)n2)C1.CS(=O)(=O)NC[C@H]1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1.FC(F)c1cn2c(-c3nccc(N4CCOC(c5cn[nH]c5)C4)n3)cnc2cn1
• InChI: InChI=1S/C18H16F2N8O.C18H21F2N7O2S.C17H16N8O.C17H17N7O3.C16H18BrN7O2S/c19-17(20)12-9-28-13(7-23-16(28)8-22-12)18-21-2-1-15(26-18)27-3-4-29-14(10-27)11-5-24-25-6-11;1-30(28,29)24-7-12-3-2-6-26(10-12)15-4-5-21-18(25-15)14-8-23-16-9-22-13(17(19)20)11-27(14)16;1-12(26)23-4-6-24(7-5-23)15-2-3-19-17(22-15)14-9-21-16-10-20-13(8-18)11-25(14)16;1-11(25)22-4-6-23(7-5-22)14-2-3-18-16(21-14)13-8-20-15-9-19-12(17(26)27)10-24(13)15;1-27(25,26)21-6-11-3-5-23(9-11)14-2-4-18-16(22-14)12-7-20-15-8-19-13(17)10-24(12)15/h1-2,5-9,14,17H,3-4,10H2,(H,24,25);4-5,8-9,11-12,17,24H,2-3,6-7,10H2,1H3;2-3,9-11H,4-7H2,1H3;2-3,8-10H,4-7H2,1H3,(H,26,27);2,4,7-8,10-11,21H,3,5-6,9H2,1H3/t;12-;;;/m.1.../s1
• InChIKey: BQWQMOJGRHWBFS-RCWFDLANSA-N
• XLogP: 6.92
• TPSA: 528.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 40
• Rotatable Bonds: 20
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2003.93
LogP ≤ 5	6.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile;3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxylic acid;N-[[1-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methyl]methanesulfonamide;N-[[(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)morpholine?

The IUPAC name of 3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile;3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxylic acid;N-[[1-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methyl]methanesulfonamide;N-[[(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)morpholine (CID 157434085) is 3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile;3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxylic acid;N-[[1-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methyl]methanesulfonamide;N-[[(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)morpholine.

What is the SMILES notation for 3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile;3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxylic acid;N-[[1-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methyl]methanesulfonamide;N-[[(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)morpholine?

The canonical SMILES for 3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile;3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxylic acid;N-[[1-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methyl]methanesulfonamide;N-[[(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)morpholine is CC(=O)N1CCN(c2ccnc(-c3cnc4cnc(C#N)cn34)n2)CC1.CC(=O)N1CCN(c2ccnc(-c3cnc4cnc(C(=O)O)cn34)n2)CC1.CS(=O)(=O)NCC1CCN(c2ccnc(-c3cnc4cnc(Br)cn34)n2)C1.CS(=O)(=O)NC[C@H]1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1.FC(F)c1cn2c(-c3nccc(N4CCOC(c5cn[nH]c5)C4)n3)cnc2cn1.

What is the InChIKey of 3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile;3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxylic acid;N-[[1-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methyl]methanesulfonamide;N-[[(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)morpholine?

The InChIKey is BQWQMOJGRHWBFS-RCWFDLANSA-N. The full InChI is InChI=1S/C18H16F2N8O.C18H21F2N7O2S.C17H16N8O.C17H17N7O3.C16H18BrN7O2S/c19-17(20)12-9-28-13(7-23-16(28)8-22-12)18-21-2-1-15(26-18)27-3-4-29-14(10-27)11-5-24-25-6-11;1-30(28,29)24-7-12-3-2-6-26(10-12)15-4-5-21-18(25-15)14-8-23-16-9-22-13(17(19)20)11-27(14)16;1-12(26)23-4-6-24(7-5-23)15-2-3-19-17(22-15)14-9-21-16-10-20-13(8-18)11-25(14)16;1-11(25)22-4-6-23(7-5-22)14-2-3-18-16(21-14)13-8-20-15-9-19-12(17(26)27)10-24(13)15;1-27(25,26)21-6-11-3-5-23(9-11)14-2-4-18-16(22-14)12-7-20-15-8-19-13(17)10-24(12)15/h1-2,5-9,14,17H,3-4,10H2,(H,24,25);4-5,8-9,11-12,17,24H,2-3,6-7,10H2,1H3;2-3,9-11H,4-7H2,1H3;2-3,8-10H,4-7H2,1H3,(H,26,27);2,4,7-8,10-11,21H,3,5-6,9H2,1H3/t;12-;;;/m.1.../s1.

What are the key properties of 3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile;3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxylic acid;N-[[1-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methyl]methanesulfonamide;N-[[(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)morpholine?

3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile;3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxylic acid;N-[[1-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methyl]methanesulfonamide;N-[[(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)morpholine has a molecular weight of 2003.93 g/mol, XLogP of 6.92, 20 rotatable bonds, 4 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile;3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxylic acid;N-[[1-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methyl]methanesulfonamide;N-[[(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)morpholine is sourced from PubChem (CID 157434085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).