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

C46H46F2N14O5Si — CID 158306476

IUPAC2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(1,2-oxazol-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(1,2-oxazol-3-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(F)ccc34)nc12)c1ccon1.CC(NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(F)ccc34)nc12)c1ccon1
InChIInChI=1S/C26H30FN7O3Si.C20H16FN7O2/c1-16(20-8-9-37-32-20)29-26(35)19-14-34(15-36-10-11-38(3,4)5)25-24(19)30-21(13-28-25)23-18-7-6-17(27)12-22(18)33(2)31-23;1-10(14-5-6-30-27-14)24-20(29)13-8-22-19-18(13)25-15(9-23-19)17-12-4-3-11(21)7-16(12)28(2)26-17/h6-9,12-14,16H,10-11,15H2,1-5H3,(H,29,35);3-10H,1-2H3,(H,22,23)(H,24,29)
InChIKeyGNDHGJROBHJSRI-UHFFFAOYSA-N
MW941.05 g/mol
LogP8.05
Rot. Bonds13

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

2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(1,2-oxazol-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(1,2-oxazol-3-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 158306476) has the molecular formula C46H46F2N14O5Si and a molecular weight of 941.05 g/mol. Its IUPAC name is 2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(1,2-oxazol-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(1,2-oxazol-3-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(1,2-oxazol-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(1,2-oxazol-3-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID158306476
Molecular FormulaC46H46F2N14O5Si
Molecular Weight941.05 g/mol
Exact Mass940.35
IUPAC Name2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(1,2-oxazol-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(1,2-oxazol-3-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(F)ccc34)nc12)c1ccon1.CC(NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(F)ccc34)nc12)c1ccon1
InChIInChI=1S/C26H30FN7O3Si.C20H16FN7O2/c1-16(20-8-9-37-32-20)29-26(35)19-14-34(15-36-10-11-38(3,4)5)25-24(19)30-21(13-28-25)23-18-7-6-17(27)12-22(18)33(2)31-23;1-10(14-5-6-30-27-14)24-20(29)13-8-22-19-18(13)25-15(9-23-19)17-12-4-3-11(21)7-16(12)28(2)26-17/h6-9,12-14,16H,10-11,15H2,1-5H3,(H,29,35);3-10H,1-2H3,(H,22,23)(H,24,29)
InChIKeyGNDHGJROBHJSRI-UHFFFAOYSA-N
XLogP8.05
TPSA227.41 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500941.05
LogP ≤ 58.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(1,2-oxazol-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(1,2-oxazol-3-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(1,2-oxazol-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(1,2-oxazol-3-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 158306476) is 2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(1,2-oxazol-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(1,2-oxazol-3-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(1,2-oxazol-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(1,2-oxazol-3-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(1,2-oxazol-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(1,2-oxazol-3-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(F)ccc34)nc12)c1ccon1.CC(NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(F)ccc34)nc12)c1ccon1.
What is the InChIKey of 2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(1,2-oxazol-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(1,2-oxazol-3-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is GNDHGJROBHJSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN7O3Si.C20H16FN7O2/c1-16(20-8-9-37-32-20)29-26(35)19-14-34(15-36-10-11-38(3,4)5)25-24(19)30-21(13-28-25)23-18-7-6-17(27)12-22(18)33(2)31-23;1-10(14-5-6-30-27-14)24-20(29)13-8-22-19-18(13)25-15(9-23-19)17-12-4-3-11(21)7-16(12)28(2)26-17/h6-9,12-14,16H,10-11,15H2,1-5H3,(H,29,35);3-10H,1-2H3,(H,22,23)(H,24,29).
What are the key properties of 2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(1,2-oxazol-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(1,2-oxazol-3-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(1,2-oxazol-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(1,2-oxazol-3-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 941.05 g/mol, XLogP of 8.05, 13 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(1,2-oxazol-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(1,2-oxazol-3-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 158306476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).