tert-butyl 4-[[2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetyl]amino]piperidine-1-carboxylate;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-piperidin-4-ylacetamide;dihydrochloride

C59H82Cl2N20O4S2 — CID 161360316

About tert-butyl 4-[[2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetyl]amino]piperidine-1-carboxylate;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-piperidin-4-ylacetamide;dihydrochloride

tert-butyl 4-[[2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetyl]amino]piperidine-1-carboxylate;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-piperidin-4-ylacetamide;dihydrochloride (PubChem CID 161360316) has the molecular formula C59H82Cl2N20O4S2 and a molecular weight of 1270.48 g/mol. Its IUPAC name is tert-butyl 4-[[2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetyl]amino]piperidine-1-carboxylate;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-piperidin-4-ylacetamide;dihydrochloride.

Molecular Properties

• Compound Name: tert-butyl 4-[[2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetyl]amino]piperidine-1-carboxylate;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-piperidin-4-ylacetamide;dihydrochloride
• PubChem CID: 161360316
• Molecular Formula: C59H82Cl2N20O4S2
• Molecular Weight: 1270.48 g/mol
• Exact Mass: 1268.56
• IUPAC Name: tert-butyl 4-[[2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetyl]amino]piperidine-1-carboxylate;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-piperidin-4-ylacetamide;dihydrochloride
• SMILES: Cc1cn2c(-c3cnn(CC(=O)NC4CCN(C(=O)OC(C)(C)C)CC4)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1.Cc1cn2c(-c3cnn(CC(=O)NC4CCNCC4)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1.Cl.Cl
• InChI: InChI=1S/C32H44N10O3S.C27H36N10OS.2ClH/c1-21-7-6-10-39(16-21)19-25-13-28(46-38-25)37-29-30-33-15-26(42(30)17-22(2)35-29)23-14-34-41(18-23)20-27(43)36-24-8-11-40(12-9-24)31(44)45-32(3,4)5;1-18-4-3-9-35(13-18)16-22-10-25(39-34-22)33-26-27-29-12-23(37(27)14-19(2)31-26)20-11-30-36(15-20)17-24(38)32-21-5-7-28-8-6-21;;/h13-15,17-18,21,24H,6-12,16,19-20H2,1-5H3,(H,35,37)(H,36,43);10-12,14-15,18,21,28H,3-9,13,16-17H2,1-2H3,(H,31,33)(H,32,38);2*1H
• InChIKey: IYDFHLXGSBDIMG-UHFFFAOYSA-N
• XLogP: 8.89
• TPSA: 252.11 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 16
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1270.48
LogP ≤ 5	8.89
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetyl]amino]piperidine-1-carboxylate;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-piperidin-4-ylacetamide;dihydrochloride?

The IUPAC name of tert-butyl 4-[[2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetyl]amino]piperidine-1-carboxylate;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-piperidin-4-ylacetamide;dihydrochloride (CID 161360316) is tert-butyl 4-[[2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetyl]amino]piperidine-1-carboxylate;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-piperidin-4-ylacetamide;dihydrochloride.

What is the SMILES notation for tert-butyl 4-[[2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetyl]amino]piperidine-1-carboxylate;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-piperidin-4-ylacetamide;dihydrochloride?

The canonical SMILES for tert-butyl 4-[[2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetyl]amino]piperidine-1-carboxylate;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-piperidin-4-ylacetamide;dihydrochloride is Cc1cn2c(-c3cnn(CC(=O)NC4CCN(C(=O)OC(C)(C)C)CC4)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1.Cc1cn2c(-c3cnn(CC(=O)NC4CCNCC4)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1.Cl.Cl.

What is the InChIKey of tert-butyl 4-[[2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetyl]amino]piperidine-1-carboxylate;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-piperidin-4-ylacetamide;dihydrochloride?

The InChIKey is IYDFHLXGSBDIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44N10O3S.C27H36N10OS.2ClH/c1-21-7-6-10-39(16-21)19-25-13-28(46-38-25)37-29-30-33-15-26(42(30)17-22(2)35-29)23-14-34-41(18-23)20-27(43)36-24-8-11-40(12-9-24)31(44)45-32(3,4)5;1-18-4-3-9-35(13-18)16-22-10-25(39-34-22)33-26-27-29-12-23(37(27)14-19(2)31-26)20-11-30-36(15-20)17-24(38)32-21-5-7-28-8-6-21;;/h13-15,17-18,21,24H,6-12,16,19-20H2,1-5H3,(H,35,37)(H,36,43);10-12,14-15,18,21,28H,3-9,13,16-17H2,1-2H3,(H,31,33)(H,32,38);2*1H.

What are the key properties of tert-butyl 4-[[2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetyl]amino]piperidine-1-carboxylate;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-piperidin-4-ylacetamide;dihydrochloride?

tert-butyl 4-[[2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetyl]amino]piperidine-1-carboxylate;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-piperidin-4-ylacetamide;dihydrochloride has a molecular weight of 1270.48 g/mol, XLogP of 8.89, 16 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[[2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetyl]amino]piperidine-1-carboxylate;2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-piperidin-4-ylacetamide;dihydrochloride is sourced from PubChem (CID 161360316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).