5-[2-amino-5-[2-(4-bromophenyl)ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide;5-[2-amino-5-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide;5-[2-amino-5-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide

C94H101BrCl3N19O5Si2 — CID 159976377

About 5-[2-amino-5-[2-(4-bromophenyl)ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide;5-[2-amino-5-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide;5-[2-amino-5-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide

5-[2-amino-5-[2-(4-bromophenyl)ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide;5-[2-amino-5-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide;5-[2-amino-5-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide (PubChem CID 159976377) has the molecular formula C94H101BrCl3N19O5Si2 and a molecular weight of 1819.40 g/mol. Its IUPAC name is 5-[2-amino-5-[2-(4-bromophenyl)ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide;5-[2-amino-5-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide;5-[2-amino-5-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-amino-5-[2-(4-bromophenyl)ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide;5-[2-amino-5-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide;5-[2-amino-5-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide
• PubChem CID: 159976377
• Molecular Formula: C94H101BrCl3N19O5Si2
• Molecular Weight: 1819.40 g/mol
• Exact Mass: 1815.60
• IUPAC Name: 5-[2-amino-5-[2-(4-bromophenyl)ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide;5-[2-amino-5-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide;5-[2-amino-5-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide
• SMILES: Cc1ccc(Cl)cc1-c1[nH]c(-c2nc(N)ncc2C#Cc2ccc(N3CCN(C)CC3)cc2)cc1C(N)=O.Cc1ccc(Cl)cc1-c1c(C(N)=O)cc(-c2nc(N)ncc2C#Cc2ccc(Br)cc2)n1COCC[Si](C)(C)C.Cc1ccc(Cl)cc1-c1c(C(N)=O)cc(-c2nc(N)ncc2C#Cc2ccc(N3CCN(C)CC3)cc2)n1COCC[Si](C)(C)C
• InChI: InChI=1S/C35H42ClN7O2Si.C30H31BrClN5O2Si.C29H28ClN7O/c1-24-6-11-27(36)20-29(24)33-30(34(37)44)21-31(43(33)23-45-18-19-46(3,4)5)32-26(22-39-35(38)40-32)10-7-25-8-12-28(13-9-25)42-16-14-41(2)15-17-42;1-19-5-12-23(32)15-24(19)28-25(29(33)38)16-26(37(28)18-39-13-14-40(2,3)4)27-21(17-35-30(34)36-27)9-6-20-7-10-22(31)11-8-20;1-18-3-8-21(30)15-23(18)27-24(28(31)38)16-25(34-27)26-20(17-33-29(32)35-26)7-4-19-5-9-22(10-6-19)37-13-11-36(2)12-14-37/h6,8-9,11-13,20-22H,14-19,23H2,1-5H3,(H2,37,44)(H2,38,39,40);5,7-8,10-12,15-17H,13-14,18H2,1-4H3,(H2,33,38)(H2,34,35,36);3,5-6,8-10,15-17,34H,11-14H2,1-2H3,(H2,31,38)(H2,32,33,35)
• InChIKey: OFFDKCHPGNWPLC-UHFFFAOYSA-N
• XLogP: 16.38
• TPSA: 341.74 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 21
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1819.40
LogP ≤ 5	16.38
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-5-[2-(4-bromophenyl)ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide;5-[2-amino-5-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide;5-[2-amino-5-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide?

The IUPAC name of 5-[2-amino-5-[2-(4-bromophenyl)ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide;5-[2-amino-5-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide;5-[2-amino-5-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide (CID 159976377) is 5-[2-amino-5-[2-(4-bromophenyl)ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide;5-[2-amino-5-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide;5-[2-amino-5-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide.

What is the SMILES notation for 5-[2-amino-5-[2-(4-bromophenyl)ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide;5-[2-amino-5-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide;5-[2-amino-5-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide?

The canonical SMILES for 5-[2-amino-5-[2-(4-bromophenyl)ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide;5-[2-amino-5-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide;5-[2-amino-5-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide is Cc1ccc(Cl)cc1-c1[nH]c(-c2nc(N)ncc2C#Cc2ccc(N3CCN(C)CC3)cc2)cc1C(N)=O.Cc1ccc(Cl)cc1-c1c(C(N)=O)cc(-c2nc(N)ncc2C#Cc2ccc(Br)cc2)n1COCC[Si](C)(C)C.Cc1ccc(Cl)cc1-c1c(C(N)=O)cc(-c2nc(N)ncc2C#Cc2ccc(N3CCN(C)CC3)cc2)n1COCC[Si](C)(C)C.

What is the InChIKey of 5-[2-amino-5-[2-(4-bromophenyl)ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide;5-[2-amino-5-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide;5-[2-amino-5-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide?

The InChIKey is OFFDKCHPGNWPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42ClN7O2Si.C30H31BrClN5O2Si.C29H28ClN7O/c1-24-6-11-27(36)20-29(24)33-30(34(37)44)21-31(43(33)23-45-18-19-46(3,4)5)32-26(22-39-35(38)40-32)10-7-25-8-12-28(13-9-25)42-16-14-41(2)15-17-42;1-19-5-12-23(32)15-24(19)28-25(29(33)38)16-26(37(28)18-39-13-14-40(2,3)4)27-21(17-35-30(34)36-27)9-6-20-7-10-22(31)11-8-20;1-18-3-8-21(30)15-23(18)27-24(28(31)38)16-25(34-27)26-20(17-33-29(32)35-26)7-4-19-5-9-22(10-6-19)37-13-11-36(2)12-14-37/h6,8-9,11-13,20-22H,14-19,23H2,1-5H3,(H2,37,44)(H2,38,39,40);5,7-8,10-12,15-17H,13-14,18H2,1-4H3,(H2,33,38)(H2,34,35,36);3,5-6,8-10,15-17,34H,11-14H2,1-2H3,(H2,31,38)(H2,32,33,35).

What are the key properties of 5-[2-amino-5-[2-(4-bromophenyl)ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide;5-[2-amino-5-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide;5-[2-amino-5-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide?

5-[2-amino-5-[2-(4-bromophenyl)ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide;5-[2-amino-5-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide;5-[2-amino-5-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide has a molecular weight of 1819.40 g/mol, XLogP of 16.38, 21 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-amino-5-[2-(4-bromophenyl)ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide;5-[2-amino-5-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide;5-[2-amino-5-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyrimidin-4-yl]-2-(5-chloro-2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 159976377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).