methyl 6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazine-2-carboxylate

C16H15BrN4O4 — CID 118663914

IUPACmethyl 6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazine-2-carboxylate
SMILESCOCCOc1cc(Br)cc2c1cnn2-c1cncc(C(=O)OC)n1
InChIInChI=1S/C16H15BrN4O4/c1-23-3-4-25-14-6-10(17)5-13-11(14)7-19-21(13)15-9-18-8-12(20-15)16(22)24-2/h5-9H,3-4H2,1-2H3
InChIKeyVQJBZXYTTXFIQX-UHFFFAOYSA-N
MW407.22 g/mol
LogP2.39
Rot. Bonds6

About methyl 6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazine-2-carboxylate

methyl 6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazine-2-carboxylate (PubChem CID 118663914) has the molecular formula C16H15BrN4O4 and a molecular weight of 407.22 g/mol. Its IUPAC name is methyl 6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazine-2-carboxylate
PubChem CID118663914
Molecular FormulaC16H15BrN4O4
Molecular Weight407.22 g/mol
Exact Mass406.03
IUPAC Namemethyl 6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazine-2-carboxylate
SMILESCOCCOc1cc(Br)cc2c1cnn2-c1cncc(C(=O)OC)n1
InChIInChI=1S/C16H15BrN4O4/c1-23-3-4-25-14-6-10(17)5-13-11(14)7-19-21(13)15-9-18-8-12(20-15)16(22)24-2/h5-9H,3-4H2,1-2H3
InChIKeyVQJBZXYTTXFIQX-UHFFFAOYSA-N
XLogP2.39
TPSA88.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.22
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 methyl 6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazine-2-carboxylate (CID 118663914) is methyl 6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazine-2-carboxylate is COCCOc1cc(Br)cc2c1cnn2-c1cncc(C(=O)OC)n1.
What is the InChIKey of methyl 6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazine-2-carboxylate?
The InChIKey is VQJBZXYTTXFIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O4/c1-23-3-4-25-14-6-10(17)5-13-11(14)7-19-21(13)15-9-18-8-12(20-15)16(22)24-2/h5-9H,3-4H2,1-2H3.
What are the key properties of methyl 6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazine-2-carboxylate?
methyl 6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazine-2-carboxylate has a molecular weight of 407.22 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazine-2-carboxylate is sourced from PubChem (CID 118663914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).