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

C30H46N6O3Si2 — CID 71285682

IUPACN-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCCCCNC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nccc4ccn(COCC[Si](C)(C)C)c34)nc12
InChIInChI=1S/C30H46N6O3Si2/c1-8-9-12-32-30(37)24-20-36(22-39-16-18-41(5,6)7)29-26(24)34-25(19-33-29)27-28-23(10-13-31-27)11-14-35(28)21-38-15-17-40(2,3)4/h10-11,13-14,19-20H,8-9,12,15-18,21-22H2,1-7H3,(H,32,37)
InChIKeyQFZMXFHLRAYNSR-UHFFFAOYSA-N
MW594.91 g/mol
LogP6.60
Rot. Bonds15

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

N-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71285682) has the molecular formula C30H46N6O3Si2 and a molecular weight of 594.91 g/mol. Its IUPAC name is N-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 NameN-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71285682
Molecular FormulaC30H46N6O3Si2
Molecular Weight594.91 g/mol
Exact Mass594.32
IUPAC NameN-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCCCCNC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nccc4ccn(COCC[Si](C)(C)C)c34)nc12
InChIInChI=1S/C30H46N6O3Si2/c1-8-9-12-32-30(37)24-20-36(22-39-16-18-41(5,6)7)29-26(24)34-25(19-33-29)27-28-23(10-13-31-27)11-14-35(28)21-38-15-17-40(2,3)4/h10-11,13-14,19-20H,8-9,12,15-18,21-22H2,1-7H3,(H,32,37)
InChIKeyQFZMXFHLRAYNSR-UHFFFAOYSA-N
XLogP6.60
TPSA96.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.91
LogP ≤ 56.60
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 N-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 N-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71285682) is N-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 N-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 N-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide is CCCCNC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nccc4ccn(COCC[Si](C)(C)C)c34)nc12.
What is the InChIKey of N-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 QFZMXFHLRAYNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46N6O3Si2/c1-8-9-12-32-30(37)24-20-36(22-39-16-18-41(5,6)7)29-26(24)34-25(19-33-29)27-28-23(10-13-31-27)11-14-35(28)21-38-15-17-40(2,3)4/h10-11,13-14,19-20H,8-9,12,15-18,21-22H2,1-7H3,(H,32,37).
What are the key properties of N-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-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 6.60, 15 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-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 71285682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).