tert-butyl 4-[2-[(2S)-2-methylpiperazin-1-yl]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[(2S)-2-methyl-4-[6-[5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethyl]piperazine-1-carboxylate;2-[[3-(6-chloropyrimidin-4-yl)-5-propan-2-yloxyindazol-1-yl]methoxy]ethyl-trimethylsilane

C72H117ClN16O8Si2 — CID 159134691

About tert-butyl 4-[2-[(2S)-2-methylpiperazin-1-yl]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[(2S)-2-methyl-4-[6-[5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethyl]piperazine-1-carboxylate;2-[[3-(6-chloropyrimidin-4-yl)-5-propan-2-yloxyindazol-1-yl]methoxy]ethyl-trimethylsilane

tert-butyl 4-[2-[(2S)-2-methylpiperazin-1-yl]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[(2S)-2-methyl-4-[6-[5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethyl]piperazine-1-carboxylate;2-[[3-(6-chloropyrimidin-4-yl)-5-propan-2-yloxyindazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 159134691) has the molecular formula C72H117ClN16O8Si2 and a molecular weight of 1426.46 g/mol. Its IUPAC name is tert-butyl 4-[2-[(2S)-2-methylpiperazin-1-yl]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[(2S)-2-methyl-4-[6-[5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethyl]piperazine-1-carboxylate;2-[[3-(6-chloropyrimidin-4-yl)-5-propan-2-yloxyindazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: tert-butyl 4-[2-[(2S)-2-methylpiperazin-1-yl]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[(2S)-2-methyl-4-[6-[5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethyl]piperazine-1-carboxylate;2-[[3-(6-chloropyrimidin-4-yl)-5-propan-2-yloxyindazol-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 159134691
• Molecular Formula: C72H117ClN16O8Si2
• Molecular Weight: 1426.46 g/mol
• Exact Mass: 1424.85
• IUPAC Name: tert-butyl 4-[2-[(2S)-2-methylpiperazin-1-yl]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[(2S)-2-methyl-4-[6-[5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethyl]piperazine-1-carboxylate;2-[[3-(6-chloropyrimidin-4-yl)-5-propan-2-yloxyindazol-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: CC(C)Oc1ccc2c(c1)c(-c1cc(Cl)ncn1)nn2COCC[Si](C)(C)C.CC(C)Oc1ccc2c(c1)c(-c1cc(N3CCN(CCN4CCN(C(=O)OC(C)(C)C)CC4)[C@@H](C)C3)ncn1)nn2COCC[Si](C)(C)C.C[C@H]1CNCCN1CCN1CCN(C(=O)OC(C)(C)C)CC1
• InChI: InChI=1S/C36H58N8O4Si.C20H27ClN4O2Si.C16H32N4O2/c1-27(2)47-29-10-11-32-30(22-29)34(39-44(32)26-46-20-21-49(7,8)9)31-23-33(38-25-37-31)43-19-18-41(28(3)24-43)15-12-40-13-16-42(17-14-40)35(45)48-36(4,5)6;1-14(2)27-15-6-7-18-16(10-15)20(17-11-19(21)23-12-22-17)24-25(18)13-26-8-9-28(3,4)5;1-14-13-17-5-6-19(14)10-7-18-8-11-20(12-9-18)15(21)22-16(2,3)4/h10-11,22-23,25,27-28H,12-21,24,26H2,1-9H3;6-7,10-12,14H,8-9,13H2,1-5H3;14,17H,5-13H2,1-4H3/t28-;;14-/m0.0/s1
• InChIKey: KHIKBWYQEYYTRW-LOPJBUKESA-N
• XLogP: 11.73
• TPSA: 211.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 23
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1426.46
LogP ≤ 5	11.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[(2S)-2-methylpiperazin-1-yl]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[(2S)-2-methyl-4-[6-[5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethyl]piperazine-1-carboxylate;2-[[3-(6-chloropyrimidin-4-yl)-5-propan-2-yloxyindazol-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of tert-butyl 4-[2-[(2S)-2-methylpiperazin-1-yl]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[(2S)-2-methyl-4-[6-[5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethyl]piperazine-1-carboxylate;2-[[3-(6-chloropyrimidin-4-yl)-5-propan-2-yloxyindazol-1-yl]methoxy]ethyl-trimethylsilane (CID 159134691) is tert-butyl 4-[2-[(2S)-2-methylpiperazin-1-yl]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[(2S)-2-methyl-4-[6-[5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethyl]piperazine-1-carboxylate;2-[[3-(6-chloropyrimidin-4-yl)-5-propan-2-yloxyindazol-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for tert-butyl 4-[2-[(2S)-2-methylpiperazin-1-yl]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[(2S)-2-methyl-4-[6-[5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethyl]piperazine-1-carboxylate;2-[[3-(6-chloropyrimidin-4-yl)-5-propan-2-yloxyindazol-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for tert-butyl 4-[2-[(2S)-2-methylpiperazin-1-yl]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[(2S)-2-methyl-4-[6-[5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethyl]piperazine-1-carboxylate;2-[[3-(6-chloropyrimidin-4-yl)-5-propan-2-yloxyindazol-1-yl]methoxy]ethyl-trimethylsilane is CC(C)Oc1ccc2c(c1)c(-c1cc(Cl)ncn1)nn2COCC[Si](C)(C)C.CC(C)Oc1ccc2c(c1)c(-c1cc(N3CCN(CCN4CCN(C(=O)OC(C)(C)C)CC4)[C@@H](C)C3)ncn1)nn2COCC[Si](C)(C)C.C[C@H]1CNCCN1CCN1CCN(C(=O)OC(C)(C)C)CC1.

What is the InChIKey of tert-butyl 4-[2-[(2S)-2-methylpiperazin-1-yl]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[(2S)-2-methyl-4-[6-[5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethyl]piperazine-1-carboxylate;2-[[3-(6-chloropyrimidin-4-yl)-5-propan-2-yloxyindazol-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is KHIKBWYQEYYTRW-LOPJBUKESA-N. The full InChI is InChI=1S/C36H58N8O4Si.C20H27ClN4O2Si.C16H32N4O2/c1-27(2)47-29-10-11-32-30(22-29)34(39-44(32)26-46-20-21-49(7,8)9)31-23-33(38-25-37-31)43-19-18-41(28(3)24-43)15-12-40-13-16-42(17-14-40)35(45)48-36(4,5)6;1-14(2)27-15-6-7-18-16(10-15)20(17-11-19(21)23-12-22-17)24-25(18)13-26-8-9-28(3,4)5;1-14-13-17-5-6-19(14)10-7-18-8-11-20(12-9-18)15(21)22-16(2,3)4/h10-11,22-23,25,27-28H,12-21,24,26H2,1-9H3;6-7,10-12,14H,8-9,13H2,1-5H3;14,17H,5-13H2,1-4H3/t28-;;14-/m0.0/s1.

What are the key properties of tert-butyl 4-[2-[(2S)-2-methylpiperazin-1-yl]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[(2S)-2-methyl-4-[6-[5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethyl]piperazine-1-carboxylate;2-[[3-(6-chloropyrimidin-4-yl)-5-propan-2-yloxyindazol-1-yl]methoxy]ethyl-trimethylsilane?

tert-butyl 4-[2-[(2S)-2-methylpiperazin-1-yl]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[(2S)-2-methyl-4-[6-[5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethyl]piperazine-1-carboxylate;2-[[3-(6-chloropyrimidin-4-yl)-5-propan-2-yloxyindazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 1426.46 g/mol, XLogP of 11.73, 23 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[2-[(2S)-2-methylpiperazin-1-yl]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[(2S)-2-methyl-4-[6-[5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethyl]piperazine-1-carboxylate;2-[[3-(6-chloropyrimidin-4-yl)-5-propan-2-yloxyindazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 159134691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).