2-[6-chloro-1-[2-(dimethylamino)ethyl]indazol-3-yl]-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1H-indazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C52H71Cl2N13O6Si2 — CID 162004971

About 2-[6-chloro-1-[2-(dimethylamino)ethyl]indazol-3-yl]-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1H-indazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

2-[6-chloro-1-[2-(dimethylamino)ethyl]indazol-3-yl]-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1H-indazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 162004971) has the molecular formula C52H71Cl2N13O6Si2 and a molecular weight of 1101.30 g/mol. Its IUPAC name is 2-[6-chloro-1-[2-(dimethylamino)ethyl]indazol-3-yl]-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1H-indazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: 2-[6-chloro-1-[2-(dimethylamino)ethyl]indazol-3-yl]-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1H-indazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 162004971
• Molecular Formula: C52H71Cl2N13O6Si2
• Molecular Weight: 1101.30 g/mol
• Exact Mass: 1099.46
• IUPAC Name: 2-[6-chloro-1-[2-(dimethylamino)ethyl]indazol-3-yl]-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1H-indazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: COC[C@H](C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3n[nH]c4cc(Cl)ccc34)nc12.COC[C@H](C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(CCN(C)C)c4cc(Cl)ccc34)nc12
• InChI: InChI=1S/C28H40ClN7O3Si.C24H31ClN6O3Si/c1-19(17-38-4)31-28(37)22-16-35(18-39-12-13-40(5,6)7)27-26(22)32-23(15-30-27)25-21-9-8-20(29)14-24(21)36(33-25)11-10-34(2)3;1-15(13-33-2)27-24(32)18-12-31(14-34-8-9-35(3,4)5)23-22(18)28-20(11-26-23)21-17-7-6-16(25)10-19(17)29-30-21/h8-9,14-16,19H,10-13,17-18H2,1-7H3,(H,31,37);6-7,10-12,15H,8-9,13-14H2,1-5H3,(H,27,32)(H,29,30)/t19-;15-/m00/s1
• InChIKey: YSSBUOSBGLWUOY-JLKOHUAHSA-N
• XLogP: 9.44
• TPSA: 206.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 23
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1101.30
LogP ≤ 5	9.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

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 2-[6-chloro-1-[2-(dimethylamino)ethyl]indazol-3-yl]-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1H-indazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of 2-[6-chloro-1-[2-(dimethylamino)ethyl]indazol-3-yl]-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1H-indazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 162004971) is 2-[6-chloro-1-[2-(dimethylamino)ethyl]indazol-3-yl]-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1H-indazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for 2-[6-chloro-1-[2-(dimethylamino)ethyl]indazol-3-yl]-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1H-indazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for 2-[6-chloro-1-[2-(dimethylamino)ethyl]indazol-3-yl]-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1H-indazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is COC[C@H](C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3n[nH]c4cc(Cl)ccc34)nc12.COC[C@H](C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(CCN(C)C)c4cc(Cl)ccc34)nc12.

What is the InChIKey of 2-[6-chloro-1-[2-(dimethylamino)ethyl]indazol-3-yl]-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1H-indazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is YSSBUOSBGLWUOY-JLKOHUAHSA-N. The full InChI is InChI=1S/C28H40ClN7O3Si.C24H31ClN6O3Si/c1-19(17-38-4)31-28(37)22-16-35(18-39-12-13-40(5,6)7)27-26(22)32-23(15-30-27)25-21-9-8-20(29)14-24(21)36(33-25)11-10-34(2)3;1-15(13-33-2)27-24(32)18-12-31(14-34-8-9-35(3,4)5)23-22(18)28-20(11-26-23)21-17-7-6-16(25)10-19(17)29-30-21/h8-9,14-16,19H,10-13,17-18H2,1-7H3,(H,31,37);6-7,10-12,15H,8-9,13-14H2,1-5H3,(H,27,32)(H,29,30)/t19-;15-/m00/s1.

What are the key properties of 2-[6-chloro-1-[2-(dimethylamino)ethyl]indazol-3-yl]-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1H-indazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

2-[6-chloro-1-[2-(dimethylamino)ethyl]indazol-3-yl]-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1H-indazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 1101.30 g/mol, XLogP of 9.44, 23 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-chloro-1-[2-(dimethylamino)ethyl]indazol-3-yl]-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1H-indazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 162004971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).