2-(6-chloro-4-fluoro-1H-indazol-3-yl)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C23H28ClFN6O2Si — CID 71280685

IUPAC2-(6-chloro-4-fluoro-1H-indazol-3-yl)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3n[nH]c4cc(Cl)cc(F)c34)nc12
InChIInChI=1S/C23H28ClFN6O2Si/c1-13(2)27-23(32)15-11-31(12-33-6-7-34(3,4)5)22-20(15)28-18(10-26-22)21-19-16(25)8-14(24)9-17(19)29-30-21/h8-11,13H,6-7,12H2,1-5H3,(H,27,32)(H,29,30)
InChIKeyNYJIDXXTBRGCNR-UHFFFAOYSA-N
MW503.05 g/mol
LogP5.22
Rot. Bonds8

About 2-(6-chloro-4-fluoro-1H-indazol-3-yl)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

2-(6-chloro-4-fluoro-1H-indazol-3-yl)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71280685) has the molecular formula C23H28ClFN6O2Si and a molecular weight of 503.05 g/mol. Its IUPAC name is 2-(6-chloro-4-fluoro-1H-indazol-3-yl)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(6-chloro-4-fluoro-1H-indazol-3-yl)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71280685
Molecular FormulaC23H28ClFN6O2Si
Molecular Weight503.05 g/mol
Exact Mass502.17
IUPAC Name2-(6-chloro-4-fluoro-1H-indazol-3-yl)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3n[nH]c4cc(Cl)cc(F)c34)nc12
InChIInChI=1S/C23H28ClFN6O2Si/c1-13(2)27-23(32)15-11-31(12-33-6-7-34(3,4)5)22-20(15)28-18(10-26-22)21-19-16(25)8-14(24)9-17(19)29-30-21/h8-11,13H,6-7,12H2,1-5H3,(H,27,32)(H,29,30)
InChIKeyNYJIDXXTBRGCNR-UHFFFAOYSA-N
XLogP5.22
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.05
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-chloro-4-fluoro-1H-indazol-3-yl)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(6-chloro-4-fluoro-1H-indazol-3-yl)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71280685) is 2-(6-chloro-4-fluoro-1H-indazol-3-yl)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(6-chloro-4-fluoro-1H-indazol-3-yl)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(6-chloro-4-fluoro-1H-indazol-3-yl)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3n[nH]c4cc(Cl)cc(F)c34)nc12.
What is the InChIKey of 2-(6-chloro-4-fluoro-1H-indazol-3-yl)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is NYJIDXXTBRGCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClFN6O2Si/c1-13(2)27-23(32)15-11-31(12-33-6-7-34(3,4)5)22-20(15)28-18(10-26-22)21-19-16(25)8-14(24)9-17(19)29-30-21/h8-11,13H,6-7,12H2,1-5H3,(H,27,32)(H,29,30).
What are the key properties of 2-(6-chloro-4-fluoro-1H-indazol-3-yl)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(6-chloro-4-fluoro-1H-indazol-3-yl)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 503.05 g/mol, XLogP of 5.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-fluoro-1H-indazol-3-yl)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71280685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).