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

C24H30ClFN6O2Si — CID 71279708

IUPAC2-(6-chloro-4-fluoro-1-methylindazol-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(-c3nn(C)c4cc(Cl)cc(F)c34)nc12
InChIInChI=1S/C24H30ClFN6O2Si/c1-14(2)28-24(33)16-12-32(13-34-7-8-35(4,5)6)23-21(16)29-18(11-27-23)22-20-17(26)9-15(25)10-19(20)31(3)30-22/h9-12,14H,7-8,13H2,1-6H3,(H,28,33)
InChIKeyQLZFNAJCMQEDAV-UHFFFAOYSA-N
MW517.08 g/mol
LogP5.23
Rot. Bonds8

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

2-(6-chloro-4-fluoro-1-methylindazol-3-yl)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71279708) has the molecular formula C24H30ClFN6O2Si and a molecular weight of 517.08 g/mol. Its IUPAC name is 2-(6-chloro-4-fluoro-1-methylindazol-3-yl)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(6-chloro-4-fluoro-1-methylindazol-3-yl)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71279708
Molecular FormulaC24H30ClFN6O2Si
Molecular Weight517.08 g/mol
Exact Mass516.19
IUPAC Name2-(6-chloro-4-fluoro-1-methylindazol-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(-c3nn(C)c4cc(Cl)cc(F)c34)nc12
InChIInChI=1S/C24H30ClFN6O2Si/c1-14(2)28-24(33)16-12-32(13-34-7-8-35(4,5)6)23-21(16)29-18(11-27-23)22-20-17(26)9-15(25)10-19(20)31(3)30-22/h9-12,14H,7-8,13H2,1-6H3,(H,28,33)
InChIKeyQLZFNAJCMQEDAV-UHFFFAOYSA-N
XLogP5.23
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.08
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-1-methylindazol-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-1-methylindazol-3-yl)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71279708) is 2-(6-chloro-4-fluoro-1-methylindazol-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-1-methylindazol-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-1-methylindazol-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(-c3nn(C)c4cc(Cl)cc(F)c34)nc12.
What is the InChIKey of 2-(6-chloro-4-fluoro-1-methylindazol-3-yl)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is QLZFNAJCMQEDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClFN6O2Si/c1-14(2)28-24(33)16-12-32(13-34-7-8-35(4,5)6)23-21(16)29-18(11-27-23)22-20-17(26)9-15(25)10-19(20)31(3)30-22/h9-12,14H,7-8,13H2,1-6H3,(H,28,33).
What are the key properties of 2-(6-chloro-4-fluoro-1-methylindazol-3-yl)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(6-chloro-4-fluoro-1-methylindazol-3-yl)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 517.08 g/mol, XLogP of 5.23, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-fluoro-1-methylindazol-3-yl)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71279708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).