6-bromo-8-methoxy-3-(3-methyl-2H-indazol-5-yl)imidazo[1,2-a]pyrazine

C15H12BrN5O — CID 16665825

IUPAC6-bromo-8-methoxy-3-(3-methyl-2H-indazol-5-yl)imidazo[1,2-a]pyrazine
SMILESCOc1nc(Br)cn2c(-c3ccc4n[nH]c(C)c4c3)cnc12
InChIInChI=1S/C15H12BrN5O/c1-8-10-5-9(3-4-11(10)20-19-8)12-6-17-14-15(22-2)18-13(16)7-21(12)14/h3-7H,1-2H3,(H,19,20)
InChIKeyIXPXUCDQDBZTHF-UHFFFAOYSA-N
MW358.20 g/mol
LogP3.35
Rot. Bonds2

About 6-bromo-8-methoxy-3-(3-methyl-2H-indazol-5-yl)imidazo[1,2-a]pyrazine

6-bromo-8-methoxy-3-(3-methyl-2H-indazol-5-yl)imidazo[1,2-a]pyrazine (PubChem CID 16665825) has the molecular formula C15H12BrN5O and a molecular weight of 358.20 g/mol. Its IUPAC name is 6-bromo-8-methoxy-3-(3-methyl-2H-indazol-5-yl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-bromo-8-methoxy-3-(3-methyl-2H-indazol-5-yl)imidazo[1,2-a]pyrazine
PubChem CID16665825
Molecular FormulaC15H12BrN5O
Molecular Weight358.20 g/mol
Exact Mass357.02
IUPAC Name6-bromo-8-methoxy-3-(3-methyl-2H-indazol-5-yl)imidazo[1,2-a]pyrazine
SMILESCOc1nc(Br)cn2c(-c3ccc4n[nH]c(C)c4c3)cnc12
InChIInChI=1S/C15H12BrN5O/c1-8-10-5-9(3-4-11(10)20-19-8)12-6-17-14-15(22-2)18-13(16)7-21(12)14/h3-7H,1-2H3,(H,19,20)
InChIKeyIXPXUCDQDBZTHF-UHFFFAOYSA-N
XLogP3.35
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-methoxy-3-(3-methyl-2H-indazol-5-yl)imidazo[1,2-a]pyrazine?
The IUPAC name of 6-bromo-8-methoxy-3-(3-methyl-2H-indazol-5-yl)imidazo[1,2-a]pyrazine (CID 16665825) is 6-bromo-8-methoxy-3-(3-methyl-2H-indazol-5-yl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-bromo-8-methoxy-3-(3-methyl-2H-indazol-5-yl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-bromo-8-methoxy-3-(3-methyl-2H-indazol-5-yl)imidazo[1,2-a]pyrazine is COc1nc(Br)cn2c(-c3ccc4n[nH]c(C)c4c3)cnc12.
What is the InChIKey of 6-bromo-8-methoxy-3-(3-methyl-2H-indazol-5-yl)imidazo[1,2-a]pyrazine?
The InChIKey is IXPXUCDQDBZTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN5O/c1-8-10-5-9(3-4-11(10)20-19-8)12-6-17-14-15(22-2)18-13(16)7-21(12)14/h3-7H,1-2H3,(H,19,20).
What are the key properties of 6-bromo-8-methoxy-3-(3-methyl-2H-indazol-5-yl)imidazo[1,2-a]pyrazine?
6-bromo-8-methoxy-3-(3-methyl-2H-indazol-5-yl)imidazo[1,2-a]pyrazine has a molecular weight of 358.20 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-methoxy-3-(3-methyl-2H-indazol-5-yl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 16665825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).