6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-2-carbaldehyde

C17H14N4O2 — CID 123443949

IUPAC6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-2-carbaldehyde
SMILESCOc1ccc2c(c1)c(-c1cc3nc(C=O)cnc3[nH]1)cn2C
InChIInChI=1S/C17H14N4O2/c1-21-8-13(12-5-11(23-2)3-4-16(12)21)14-6-15-17(20-14)18-7-10(9-22)19-15/h3-9H,1-2H3,(H,18,20)
InChIKeyFYHLLJJXBIQQPN-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.94
Rot. Bonds3

About 6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-2-carbaldehyde

6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-2-carbaldehyde (PubChem CID 123443949) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-2-carbaldehyde.

Molecular Properties

Compound Name6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-2-carbaldehyde
PubChem CID123443949
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-2-carbaldehyde
SMILESCOc1ccc2c(c1)c(-c1cc3nc(C=O)cnc3[nH]1)cn2C
InChIInChI=1S/C17H14N4O2/c1-21-8-13(12-5-11(23-2)3-4-16(12)21)14-6-15-17(20-14)18-7-10(9-22)19-15/h3-9H,1-2H3,(H,18,20)
InChIKeyFYHLLJJXBIQQPN-UHFFFAOYSA-N
XLogP2.94
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-2-carbaldehyde?
The IUPAC name of 6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-2-carbaldehyde (CID 123443949) is 6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-2-carbaldehyde.
What is the SMILES notation for 6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-2-carbaldehyde?
The canonical SMILES for 6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-2-carbaldehyde is COc1ccc2c(c1)c(-c1cc3nc(C=O)cnc3[nH]1)cn2C.
What is the InChIKey of 6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-2-carbaldehyde?
The InChIKey is FYHLLJJXBIQQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-21-8-13(12-5-11(23-2)3-4-16(12)21)14-6-15-17(20-14)18-7-10(9-22)19-15/h3-9H,1-2H3,(H,18,20).
What are the key properties of 6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-2-carbaldehyde?
6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-2-carbaldehyde has a molecular weight of 306.33 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-2-carbaldehyde is sourced from PubChem (CID 123443949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).