[6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methanol

C15H15BrN4O3 — CID 118663654

IUPAC[6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methanol
SMILESCOCCOc1cc(Br)cc2c1cnn2-c1cncc(CO)n1
InChIInChI=1S/C15H15BrN4O3/c1-22-2-3-23-14-5-10(16)4-13-12(14)7-18-20(13)15-8-17-6-11(9-21)19-15/h4-8,21H,2-3,9H2,1H3
InChIKeyZMGGTRJUUNUCCT-UHFFFAOYSA-N
MW379.21 g/mol
LogP2.10
Rot. Bonds6

About [6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methanol

[6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methanol (PubChem CID 118663654) has the molecular formula C15H15BrN4O3 and a molecular weight of 379.21 g/mol. Its IUPAC name is [6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methanol
PubChem CID118663654
Molecular FormulaC15H15BrN4O3
Molecular Weight379.21 g/mol
Exact Mass378.03
IUPAC Name[6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methanol
SMILESCOCCOc1cc(Br)cc2c1cnn2-c1cncc(CO)n1
InChIInChI=1S/C15H15BrN4O3/c1-22-2-3-23-14-5-10(16)4-13-12(14)7-18-20(13)15-8-17-6-11(9-21)19-15/h4-8,21H,2-3,9H2,1H3
InChIKeyZMGGTRJUUNUCCT-UHFFFAOYSA-N
XLogP2.10
TPSA82.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.21
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methanol?
The IUPAC name of [6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methanol (CID 118663654) is [6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methanol.
What is the SMILES notation for [6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methanol?
The canonical SMILES for [6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methanol is COCCOc1cc(Br)cc2c1cnn2-c1cncc(CO)n1.
What is the InChIKey of [6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methanol?
The InChIKey is ZMGGTRJUUNUCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O3/c1-22-2-3-23-14-5-10(16)4-13-12(14)7-18-20(13)15-8-17-6-11(9-21)19-15/h4-8,21H,2-3,9H2,1H3.
What are the key properties of [6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methanol?
[6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methanol has a molecular weight of 379.21 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methanol is sourced from PubChem (CID 118663654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).