2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde

C15H10FN5O — CID 71285688

IUPAC2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde
SMILESCn1nc(-c2cnc3[nH]cc(C=O)c3n2)c2ccc(F)cc21
InChIInChI=1S/C15H10FN5O/c1-21-12-4-9(16)2-3-10(12)14(20-21)11-6-18-15-13(19-11)8(7-22)5-17-15/h2-7H,1H3,(H,17,18)
InChIKeyVYLVURSSSLUMCK-UHFFFAOYSA-N
MW295.28 g/mol
LogP2.46
Rot. Bonds2

About 2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde

2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde (PubChem CID 71285688) has the molecular formula C15H10FN5O and a molecular weight of 295.28 g/mol. Its IUPAC name is 2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde.

Molecular Properties

Compound Name2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde
PubChem CID71285688
Molecular FormulaC15H10FN5O
Molecular Weight295.28 g/mol
Exact Mass295.09
IUPAC Name2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde
SMILESCn1nc(-c2cnc3[nH]cc(C=O)c3n2)c2ccc(F)cc21
InChIInChI=1S/C15H10FN5O/c1-21-12-4-9(16)2-3-10(12)14(20-21)11-6-18-15-13(19-11)8(7-22)5-17-15/h2-7H,1H3,(H,17,18)
InChIKeyVYLVURSSSLUMCK-UHFFFAOYSA-N
XLogP2.46
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 52.46
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 2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde?
The IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde (CID 71285688) is 2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde.
What is the SMILES notation for 2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde?
The canonical SMILES for 2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde is Cn1nc(-c2cnc3[nH]cc(C=O)c3n2)c2ccc(F)cc21.
What is the InChIKey of 2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde?
The InChIKey is VYLVURSSSLUMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN5O/c1-21-12-4-9(16)2-3-10(12)14(20-21)11-6-18-15-13(19-11)8(7-22)5-17-15/h2-7H,1H3,(H,17,18).
What are the key properties of 2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde?
2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde has a molecular weight of 295.28 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde is sourced from PubChem (CID 71285688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).