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

C26H30FN7O3Si — CID 71286003

IUPAC2-(6-fluoro-1-methylindazol-3-yl)-N-[2-(1,3-oxazol-2-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCn1nc(-c2cnc3c(n2)c(C(=O)NCCc2ncco2)cn3COCC[Si](C)(C)C)c2ccc(F)cc21
InChIInChI=1S/C26H30FN7O3Si/c1-33-21-13-17(27)5-6-18(21)23(32-33)20-14-30-25-24(31-20)19(15-34(25)16-36-11-12-38(2,3)4)26(35)29-8-7-22-28-9-10-37-22/h5-6,9-10,13-15H,7-8,11-12,16H2,1-4H3,(H,29,35)
InChIKeyQGVVRXNIOVKZAS-UHFFFAOYSA-N
MW535.66 g/mol
LogP4.40
Rot. Bonds10

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

2-(6-fluoro-1-methylindazol-3-yl)-N-[2-(1,3-oxazol-2-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71286003) has the molecular formula C26H30FN7O3Si and a molecular weight of 535.66 g/mol. Its IUPAC name is 2-(6-fluoro-1-methylindazol-3-yl)-N-[2-(1,3-oxazol-2-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(6-fluoro-1-methylindazol-3-yl)-N-[2-(1,3-oxazol-2-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71286003
Molecular FormulaC26H30FN7O3Si
Molecular Weight535.66 g/mol
Exact Mass535.22
IUPAC Name2-(6-fluoro-1-methylindazol-3-yl)-N-[2-(1,3-oxazol-2-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCn1nc(-c2cnc3c(n2)c(C(=O)NCCc2ncco2)cn3COCC[Si](C)(C)C)c2ccc(F)cc21
InChIInChI=1S/C26H30FN7O3Si/c1-33-21-13-17(27)5-6-18(21)23(32-33)20-14-30-25-24(31-20)19(15-34(25)16-36-11-12-38(2,3)4)26(35)29-8-7-22-28-9-10-37-22/h5-6,9-10,13-15H,7-8,11-12,16H2,1-4H3,(H,29,35)
InChIKeyQGVVRXNIOVKZAS-UHFFFAOYSA-N
XLogP4.40
TPSA112.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.66
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-N-[2-(1,3-oxazol-2-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-N-[2-(1,3-oxazol-2-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71286003) is 2-(6-fluoro-1-methylindazol-3-yl)-N-[2-(1,3-oxazol-2-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-[2-(1,3-oxazol-2-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(6-fluoro-1-methylindazol-3-yl)-N-[2-(1,3-oxazol-2-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is Cn1nc(-c2cnc3c(n2)c(C(=O)NCCc2ncco2)cn3COCC[Si](C)(C)C)c2ccc(F)cc21.
What is the InChIKey of 2-(6-fluoro-1-methylindazol-3-yl)-N-[2-(1,3-oxazol-2-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is QGVVRXNIOVKZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN7O3Si/c1-33-21-13-17(27)5-6-18(21)23(32-33)20-14-30-25-24(31-20)19(15-34(25)16-36-11-12-38(2,3)4)26(35)29-8-7-22-28-9-10-37-22/h5-6,9-10,13-15H,7-8,11-12,16H2,1-4H3,(H,29,35).
What are the key properties of 2-(6-fluoro-1-methylindazol-3-yl)-N-[2-(1,3-oxazol-2-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(6-fluoro-1-methylindazol-3-yl)-N-[2-(1,3-oxazol-2-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 535.66 g/mol, XLogP of 4.40, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1-methylindazol-3-yl)-N-[2-(1,3-oxazol-2-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71286003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).