2-(6-chloro-1-methylindazol-3-yl)-N-[1-(1,3-oxazol-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-N-[1-(1,3-oxazol-2-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C46H46Cl2N14O5Si — CID 159426637

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

2-(6-chloro-1-methylindazol-3-yl)-N-[1-(1,3-oxazol-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-N-[1-(1,3-oxazol-2-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 159426637) has the molecular formula C46H46Cl2N14O5Si and a molecular weight of 973.96 g/mol. Its IUPAC name is 2-(6-chloro-1-methylindazol-3-yl)-N-[1-(1,3-oxazol-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-N-[1-(1,3-oxazol-2-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: 2-(6-chloro-1-methylindazol-3-yl)-N-[1-(1,3-oxazol-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-N-[1-(1,3-oxazol-2-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 159426637
• Molecular Formula: C46H46Cl2N14O5Si
• Molecular Weight: 973.96 g/mol
• Exact Mass: 972.29
• IUPAC Name: 2-(6-chloro-1-methylindazol-3-yl)-N-[1-(1,3-oxazol-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-N-[1-(1,3-oxazol-2-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: CC(NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12)c1ncco1.CC(NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12)c1ncco1
• InChI: InChI=1S/C26H30ClN7O3Si.C20H16ClN7O2/c1-16(26-28-8-9-37-26)30-25(35)19-14-34(15-36-10-11-38(3,4)5)24-23(19)31-20(13-29-24)22-18-7-6-17(27)12-21(18)33(2)32-22;1-10(20-22-5-6-30-20)25-19(29)13-8-23-18-17(13)26-14(9-24-18)16-12-4-3-11(21)7-15(12)28(2)27-16/h6-9,12-14,16H,10-11,15H2,1-5H3,(H,30,35);3-10H,1-2H3,(H,23,24)(H,25,29)
• InChIKey: LQLCAIOXKSNRGM-UHFFFAOYSA-N
• XLogP: 9.07
• TPSA: 227.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	973.96
LogP ≤ 5	9.07
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-methylindazol-3-yl)-N-[1-(1,3-oxazol-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-N-[1-(1,3-oxazol-2-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of 2-(6-chloro-1-methylindazol-3-yl)-N-[1-(1,3-oxazol-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-N-[1-(1,3-oxazol-2-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 159426637) is 2-(6-chloro-1-methylindazol-3-yl)-N-[1-(1,3-oxazol-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-N-[1-(1,3-oxazol-2-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

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

The canonical SMILES for 2-(6-chloro-1-methylindazol-3-yl)-N-[1-(1,3-oxazol-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-N-[1-(1,3-oxazol-2-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12)c1ncco1.CC(NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12)c1ncco1.

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

The InChIKey is LQLCAIOXKSNRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN7O3Si.C20H16ClN7O2/c1-16(26-28-8-9-37-26)30-25(35)19-14-34(15-36-10-11-38(3,4)5)24-23(19)31-20(13-29-24)22-18-7-6-17(27)12-21(18)33(2)32-22;1-10(20-22-5-6-30-20)25-19(29)13-8-23-18-17(13)26-14(9-24-18)16-12-4-3-11(21)7-15(12)28(2)27-16/h6-9,12-14,16H,10-11,15H2,1-5H3,(H,30,35);3-10H,1-2H3,(H,23,24)(H,25,29).

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

2-(6-chloro-1-methylindazol-3-yl)-N-[1-(1,3-oxazol-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-N-[1-(1,3-oxazol-2-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 973.96 g/mol, XLogP of 9.07, 13 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-chloro-1-methylindazol-3-yl)-N-[1-(1,3-oxazol-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-N-[1-(1,3-oxazol-2-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 159426637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).