N-(2-chloro-6-methylphenyl)-2-[[6-[4-[2-[hydroxy(dimethyl)silyl]ethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;3-[2-[7-[hydroxy(dimethyl)silyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide

C55H65ClF3N13O4SSi2 — CID 165008349

About N-(2-chloro-6-methylphenyl)-2-[[6-[4-[2-[hydroxy(dimethyl)silyl]ethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;3-[2-[7-[hydroxy(dimethyl)silyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide

N-(2-chloro-6-methylphenyl)-2-[[6-[4-[2-[hydroxy(dimethyl)silyl]ethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;3-[2-[7-[hydroxy(dimethyl)silyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide (PubChem CID 165008349) has the molecular formula C55H65ClF3N13O4SSi2 and a molecular weight of 1152.90 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[[6-[4-[2-[hydroxy(dimethyl)silyl]ethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;3-[2-[7-[hydroxy(dimethyl)silyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

• Compound Name: N-(2-chloro-6-methylphenyl)-2-[[6-[4-[2-[hydroxy(dimethyl)silyl]ethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;3-[2-[7-[hydroxy(dimethyl)silyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
• PubChem CID: 165008349
• Molecular Formula: C55H65ClF3N13O4SSi2
• Molecular Weight: 1152.90 g/mol
• Exact Mass: 1151.42
• IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[6-[4-[2-[hydroxy(dimethyl)silyl]ethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;3-[2-[7-[hydroxy(dimethyl)silyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
• SMILES: Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cc([Si](C)(C)O)cnn12.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CC[Si](C)(C)O)CC2)n1
• InChI: InChI=1S/C31H33F3N6O2Si.C24H32ClN7O2SSi/c1-21-5-6-23(15-22(21)8-10-26-18-35-29-17-27(43(3,4)42)19-36-40(26)29)30(41)37-25-9-7-24(28(16-25)31(32,33)34)20-39-13-11-38(2)12-14-39;1-16-6-5-7-18(25)22(16)30-23(33)19-15-26-24(35-19)29-20-14-21(28-17(2)27-20)32-10-8-31(9-11-32)12-13-36(3,4)34/h5-7,9,15-19,42H,11-14,20H2,1-4H3,(H,37,41);5-7,14-15,34H,8-13H2,1-4H3,(H,30,33)(H,26,27,28,29)
• InChIKey: JHSRLVTYRIVEGY-UHFFFAOYSA-N
• XLogP: 8.38
• TPSA: 192.51 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1152.90
LogP ≤ 5	8.38
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[6-[4-[2-[hydroxy(dimethyl)silyl]ethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;3-[2-[7-[hydroxy(dimethyl)silyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide?

The IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[6-[4-[2-[hydroxy(dimethyl)silyl]ethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;3-[2-[7-[hydroxy(dimethyl)silyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide (CID 165008349) is N-(2-chloro-6-methylphenyl)-2-[[6-[4-[2-[hydroxy(dimethyl)silyl]ethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;3-[2-[7-[hydroxy(dimethyl)silyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide.

What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-[[6-[4-[2-[hydroxy(dimethyl)silyl]ethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;3-[2-[7-[hydroxy(dimethyl)silyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide?

The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-[[6-[4-[2-[hydroxy(dimethyl)silyl]ethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;3-[2-[7-[hydroxy(dimethyl)silyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cc([Si](C)(C)O)cnn12.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CC[Si](C)(C)O)CC2)n1.

What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[[6-[4-[2-[hydroxy(dimethyl)silyl]ethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;3-[2-[7-[hydroxy(dimethyl)silyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide?

The InChIKey is JHSRLVTYRIVEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33F3N6O2Si.C24H32ClN7O2SSi/c1-21-5-6-23(15-22(21)8-10-26-18-35-29-17-27(43(3,4)42)19-36-40(26)29)30(41)37-25-9-7-24(28(16-25)31(32,33)34)20-39-13-11-38(2)12-14-39;1-16-6-5-7-18(25)22(16)30-23(33)19-15-26-24(35-19)29-20-14-21(28-17(2)27-20)32-10-8-31(9-11-32)12-13-36(3,4)34/h5-7,9,15-19,42H,11-14,20H2,1-4H3,(H,37,41);5-7,14-15,34H,8-13H2,1-4H3,(H,30,33)(H,26,27,28,29).

What are the key properties of N-(2-chloro-6-methylphenyl)-2-[[6-[4-[2-[hydroxy(dimethyl)silyl]ethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;3-[2-[7-[hydroxy(dimethyl)silyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide?

N-(2-chloro-6-methylphenyl)-2-[[6-[4-[2-[hydroxy(dimethyl)silyl]ethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;3-[2-[7-[hydroxy(dimethyl)silyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 1152.90 g/mol, XLogP of 8.38, 13 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-6-methylphenyl)-2-[[6-[4-[2-[hydroxy(dimethyl)silyl]ethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;3-[2-[7-[hydroxy(dimethyl)silyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 165008349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).