3-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide

C30H46N6O3Si2 — CID 71285683

IUPAC3-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCCCCc1nc2c(nc1-c1nccc3ccn(COCC[Si](C)(C)C)c13)c(C(N)=O)cn2COCC[Si](C)(C)C
InChIInChI=1S/C30H46N6O3Si2/c1-8-9-10-24-26(27-28-22(11-13-32-27)12-14-35(28)20-38-15-17-40(2,3)4)34-25-23(29(31)37)19-36(30(25)33-24)21-39-16-18-41(5,6)7/h11-14,19H,8-10,15-18,20-21H2,1-7H3,(H2,31,37)
InChIKeyBXCOXTBEVAHCCS-UHFFFAOYSA-N
MW594.91 g/mol
LogP6.51
Rot. Bonds15

About 3-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide

3-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71285683) has the molecular formula C30H46N6O3Si2 and a molecular weight of 594.91 g/mol. Its IUPAC name is 3-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name3-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71285683
Molecular FormulaC30H46N6O3Si2
Molecular Weight594.91 g/mol
Exact Mass594.32
IUPAC Name3-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCCCCc1nc2c(nc1-c1nccc3ccn(COCC[Si](C)(C)C)c13)c(C(N)=O)cn2COCC[Si](C)(C)C
InChIInChI=1S/C30H46N6O3Si2/c1-8-9-10-24-26(27-28-22(11-13-32-27)12-14-35(28)20-38-15-17-40(2,3)4)34-25-23(29(31)37)19-36(30(25)33-24)21-39-16-18-41(5,6)7/h11-14,19H,8-10,15-18,20-21H2,1-7H3,(H2,31,37)
InChIKeyBXCOXTBEVAHCCS-UHFFFAOYSA-N
XLogP6.51
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.91
LogP ≤ 56.51
H-Bond Donors ≤ 51
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 3-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 3-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71285683) is 3-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 3-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 3-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide is CCCCc1nc2c(nc1-c1nccc3ccn(COCC[Si](C)(C)C)c13)c(C(N)=O)cn2COCC[Si](C)(C)C.
What is the InChIKey of 3-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is BXCOXTBEVAHCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46N6O3Si2/c1-8-9-10-24-26(27-28-22(11-13-32-27)12-14-35(28)20-38-15-17-40(2,3)4)34-25-23(29(31)37)19-36(30(25)33-24)21-39-16-18-41(5,6)7/h11-14,19H,8-10,15-18,20-21H2,1-7H3,(H2,31,37).
What are the key properties of 3-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide?
3-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 594.91 g/mol, XLogP of 6.51, 15 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71285683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).