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

C26H35FN6O3Si — CID 71288279

IUPAC2-(6-fluoro-1-methylindazol-3-yl)-N-(3-hydroxy-2,2-dimethylpropyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCn1nc(-c2cnc3c(n2)c(C(=O)NCC(C)(C)CO)cn3COCC[Si](C)(C)C)c2ccc(F)cc21
InChIInChI=1S/C26H35FN6O3Si/c1-26(2,15-34)14-29-25(35)19-13-33(16-36-9-10-37(4,5)6)24-23(19)30-20(12-28-24)22-18-8-7-17(27)11-21(18)32(3)31-22/h7-8,11-13,34H,9-10,14-16H2,1-6H3,(H,29,35)
InChIKeyKXOASIZOXVRAAQ-UHFFFAOYSA-N
MW526.69 g/mol
LogP4.18
Rot. Bonds10

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

2-(6-fluoro-1-methylindazol-3-yl)-N-(3-hydroxy-2,2-dimethylpropyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71288279) has the molecular formula C26H35FN6O3Si and a molecular weight of 526.69 g/mol. Its IUPAC name is 2-(6-fluoro-1-methylindazol-3-yl)-N-(3-hydroxy-2,2-dimethylpropyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(6-fluoro-1-methylindazol-3-yl)-N-(3-hydroxy-2,2-dimethylpropyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71288279
Molecular FormulaC26H35FN6O3Si
Molecular Weight526.69 g/mol
Exact Mass526.25
IUPAC Name2-(6-fluoro-1-methylindazol-3-yl)-N-(3-hydroxy-2,2-dimethylpropyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCn1nc(-c2cnc3c(n2)c(C(=O)NCC(C)(C)CO)cn3COCC[Si](C)(C)C)c2ccc(F)cc21
InChIInChI=1S/C26H35FN6O3Si/c1-26(2,15-34)14-29-25(35)19-13-33(16-36-9-10-37(4,5)6)24-23(19)30-20(12-28-24)22-18-8-7-17(27)11-21(18)32(3)31-22/h7-8,11-13,34H,9-10,14-16H2,1-6H3,(H,29,35)
InChIKeyKXOASIZOXVRAAQ-UHFFFAOYSA-N
XLogP4.18
TPSA107.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.69
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-(3-hydroxy-2,2-dimethylpropyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-N-(3-hydroxy-2,2-dimethylpropyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71288279) is 2-(6-fluoro-1-methylindazol-3-yl)-N-(3-hydroxy-2,2-dimethylpropyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(6-fluoro-1-methylindazol-3-yl)-N-(3-hydroxy-2,2-dimethylpropyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(6-fluoro-1-methylindazol-3-yl)-N-(3-hydroxy-2,2-dimethylpropyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is Cn1nc(-c2cnc3c(n2)c(C(=O)NCC(C)(C)CO)cn3COCC[Si](C)(C)C)c2ccc(F)cc21.
What is the InChIKey of 2-(6-fluoro-1-methylindazol-3-yl)-N-(3-hydroxy-2,2-dimethylpropyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is KXOASIZOXVRAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FN6O3Si/c1-26(2,15-34)14-29-25(35)19-13-33(16-36-9-10-37(4,5)6)24-23(19)30-20(12-28-24)22-18-8-7-17(27)11-21(18)32(3)31-22/h7-8,11-13,34H,9-10,14-16H2,1-6H3,(H,29,35).
What are the key properties of 2-(6-fluoro-1-methylindazol-3-yl)-N-(3-hydroxy-2,2-dimethylpropyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(6-fluoro-1-methylindazol-3-yl)-N-(3-hydroxy-2,2-dimethylpropyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 526.69 g/mol, XLogP of 4.18, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1-methylindazol-3-yl)-N-(3-hydroxy-2,2-dimethylpropyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71288279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).