N,N-diethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophene-2-carboxamide;ethyl 1-[[4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methyl]piperidine-4-carboxylate;2-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]-2-methylpropan-1-ol;[5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol;[5-[(6-methyl-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-1,2-thiazol-3-yl]methanol

C98H110N34O6S6 — CID 160577657

About N,N-diethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophene-2-carboxamide;ethyl 1-[[4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methyl]piperidine-4-carboxylate;2-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]-2-methylpropan-1-ol;[5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol;[5-[(6-methyl-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-1,2-thiazol-3-yl]methanol

N,N-diethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophene-2-carboxamide;ethyl 1-[[4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methyl]piperidine-4-carboxylate;2-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]-2-methylpropan-1-ol;[5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol;[5-[(6-methyl-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-1,2-thiazol-3-yl]methanol (PubChem CID 160577657) has the molecular formula C98H110N34O6S6 and a molecular weight of 2052.59 g/mol. Its IUPAC name is N,N-diethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophene-2-carboxamide;ethyl 1-[[4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methyl]piperidine-4-carboxylate;2-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]-2-methylpropan-1-ol;[5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol;[5-[(6-methyl-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-1,2-thiazol-3-yl]methanol.

Molecular Properties

• Compound Name: N,N-diethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophene-2-carboxamide;ethyl 1-[[4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methyl]piperidine-4-carboxylate;2-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]-2-methylpropan-1-ol;[5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol;[5-[(6-methyl-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-1,2-thiazol-3-yl]methanol
• PubChem CID: 160577657
• Molecular Formula: C98H110N34O6S6
• Molecular Weight: 2052.59 g/mol
• Exact Mass: 2050.77
• IUPAC Name: N,N-diethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophene-2-carboxamide;ethyl 1-[[4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methyl]piperidine-4-carboxylate;2-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]-2-methylpropan-1-ol;[5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol;[5-[(6-methyl-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-1,2-thiazol-3-yl]methanol
• SMILES: CCN(CC)C(=O)c1sc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)cc1CN1CCCC1.CCN(Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1)C(C)(C)CO.CCOC(=O)C1CCN(Cc2ccc(Nc3nc(C)cn4c(-c5cn[nH]c5)cnc34)cc2)CC1.Cc1cn2c(-c3ccsc3)cnc2c(Nc2cc(CO)ns2)n1.Cc1cn2c(-c3nccs3)cnc2c(Nc2cc(CO)ns2)n1
• InChI: InChI=1S/C25H29N7O2.C24H30N8OS.C20H26N8OS.C15H13N5OS2.C14H12N6OS2/c1-3-34-25(33)19-8-10-31(11-9-19)16-18-4-6-21(7-5-18)30-23-24-26-14-22(20-12-27-28-13-20)32(24)15-17(2)29-23;1-4-31(5-2)24(33)21-17(15-30-8-6-7-9-30)10-20(34-21)29-22-23-25-13-19(18-11-26-27-12-18)32(23)14-16(3)28-22;1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18;1-9-6-20-12(10-2-3-22-8-10)5-16-15(20)14(17-9)18-13-4-11(7-21)19-23-13;1-8-6-20-10(14-15-2-3-22-14)5-16-13(20)12(17-8)18-11-4-9(7-21)19-23-11/h4-7,12-15,19H,3,8-11,16H2,1-2H3,(H,27,28)(H,29,30);10-14H,4-9,15H2,1-3H3,(H,26,27)(H,28,29);6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25);2-6,8,21H,7H2,1H3,(H,17,18);2-6,21H,7H2,1H3,(H,17,18)
• InChIKey: RBJCHBCZBTVCCJ-UHFFFAOYSA-N
• XLogP: 17.79
• TPSA: 465.72 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 42
• Rotatable Bonds: 31
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2052.59
LogP ≤ 5	17.79
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophene-2-carboxamide;ethyl 1-[[4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methyl]piperidine-4-carboxylate;2-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]-2-methylpropan-1-ol;[5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol;[5-[(6-methyl-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-1,2-thiazol-3-yl]methanol?

The IUPAC name of N,N-diethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophene-2-carboxamide;ethyl 1-[[4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methyl]piperidine-4-carboxylate;2-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]-2-methylpropan-1-ol;[5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol;[5-[(6-methyl-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-1,2-thiazol-3-yl]methanol (CID 160577657) is N,N-diethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophene-2-carboxamide;ethyl 1-[[4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methyl]piperidine-4-carboxylate;2-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]-2-methylpropan-1-ol;[5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol;[5-[(6-methyl-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-1,2-thiazol-3-yl]methanol.

What is the SMILES notation for N,N-diethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophene-2-carboxamide;ethyl 1-[[4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methyl]piperidine-4-carboxylate;2-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]-2-methylpropan-1-ol;[5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol;[5-[(6-methyl-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-1,2-thiazol-3-yl]methanol?

The canonical SMILES for N,N-diethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophene-2-carboxamide;ethyl 1-[[4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methyl]piperidine-4-carboxylate;2-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]-2-methylpropan-1-ol;[5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol;[5-[(6-methyl-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-1,2-thiazol-3-yl]methanol is CCN(CC)C(=O)c1sc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)cc1CN1CCCC1.CCN(Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1)C(C)(C)CO.CCOC(=O)C1CCN(Cc2ccc(Nc3nc(C)cn4c(-c5cn[nH]c5)cnc34)cc2)CC1.Cc1cn2c(-c3ccsc3)cnc2c(Nc2cc(CO)ns2)n1.Cc1cn2c(-c3nccs3)cnc2c(Nc2cc(CO)ns2)n1.

What is the InChIKey of N,N-diethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophene-2-carboxamide;ethyl 1-[[4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methyl]piperidine-4-carboxylate;2-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]-2-methylpropan-1-ol;[5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol;[5-[(6-methyl-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-1,2-thiazol-3-yl]methanol?

The InChIKey is RBJCHBCZBTVCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2.C24H30N8OS.C20H26N8OS.C15H13N5OS2.C14H12N6OS2/c1-3-34-25(33)19-8-10-31(11-9-19)16-18-4-6-21(7-5-18)30-23-24-26-14-22(20-12-27-28-13-20)32(24)15-17(2)29-23;1-4-31(5-2)24(33)21-17(15-30-8-6-7-9-30)10-20(34-21)29-22-23-25-13-19(18-11-26-27-12-18)32(23)14-16(3)28-22;1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18;1-9-6-20-12(10-2-3-22-8-10)5-16-15(20)14(17-9)18-13-4-11(7-21)19-23-13;1-8-6-20-10(14-15-2-3-22-14)5-16-13(20)12(17-8)18-11-4-9(7-21)19-23-11/h4-7,12-15,19H,3,8-11,16H2,1-2H3,(H,27,28)(H,29,30);10-14H,4-9,15H2,1-3H3,(H,26,27)(H,28,29);6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25);2-6,8,21H,7H2,1H3,(H,17,18);2-6,21H,7H2,1H3,(H,17,18).

What are the key properties of N,N-diethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophene-2-carboxamide;ethyl 1-[[4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methyl]piperidine-4-carboxylate;2-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]-2-methylpropan-1-ol;[5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol;[5-[(6-methyl-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-1,2-thiazol-3-yl]methanol?

N,N-diethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophene-2-carboxamide;ethyl 1-[[4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methyl]piperidine-4-carboxylate;2-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]-2-methylpropan-1-ol;[5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol;[5-[(6-methyl-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-1,2-thiazol-3-yl]methanol has a molecular weight of 2052.59 g/mol, XLogP of 17.79, 31 rotatable bonds, 11 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophene-2-carboxamide;ethyl 1-[[4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methyl]piperidine-4-carboxylate;2-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]-2-methylpropan-1-ol;[5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol;[5-[(6-methyl-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-1,2-thiazol-3-yl]methanol is sourced from PubChem (CID 160577657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).