2-(5-imidazo[1,5-b]pyridazin-7-yl-2,5-dimethylhexan-2-yl)imidazo[1,2-a]pyrazine

C20H24N6 — CID 138690305

IUPAC2-(5-imidazo[1,5-b]pyridazin-7-yl-2,5-dimethylhexan-2-yl)imidazo[1,2-a]pyrazine
SMILESCC(C)(CCC(C)(C)c1ncc2cccnn12)c1cn2ccncc2n1
InChIInChI=1S/C20H24N6/c1-19(2,16-14-25-11-10-21-13-17(25)24-16)7-8-20(3,4)18-22-12-15-6-5-9-23-26(15)18/h5-6,9-14H,7-8H2,1-4H3
InChIKeyJVQZMYLSTQIELB-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.81
Rot. Bonds5

About 2-(5-imidazo[1,5-b]pyridazin-7-yl-2,5-dimethylhexan-2-yl)imidazo[1,2-a]pyrazine

2-(5-imidazo[1,5-b]pyridazin-7-yl-2,5-dimethylhexan-2-yl)imidazo[1,2-a]pyrazine (PubChem CID 138690305) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-(5-imidazo[1,5-b]pyridazin-7-yl-2,5-dimethylhexan-2-yl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(5-imidazo[1,5-b]pyridazin-7-yl-2,5-dimethylhexan-2-yl)imidazo[1,2-a]pyrazine
PubChem CID138690305
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name2-(5-imidazo[1,5-b]pyridazin-7-yl-2,5-dimethylhexan-2-yl)imidazo[1,2-a]pyrazine
SMILESCC(C)(CCC(C)(C)c1ncc2cccnn12)c1cn2ccncc2n1
InChIInChI=1S/C20H24N6/c1-19(2,16-14-25-11-10-21-13-17(25)24-16)7-8-20(3,4)18-22-12-15-6-5-9-23-26(15)18/h5-6,9-14H,7-8H2,1-4H3
InChIKeyJVQZMYLSTQIELB-UHFFFAOYSA-N
XLogP3.81
TPSA60.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-imidazo[1,5-b]pyridazin-7-yl-2,5-dimethylhexan-2-yl)imidazo[1,2-a]pyrazine?
The IUPAC name of 2-(5-imidazo[1,5-b]pyridazin-7-yl-2,5-dimethylhexan-2-yl)imidazo[1,2-a]pyrazine (CID 138690305) is 2-(5-imidazo[1,5-b]pyridazin-7-yl-2,5-dimethylhexan-2-yl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 2-(5-imidazo[1,5-b]pyridazin-7-yl-2,5-dimethylhexan-2-yl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 2-(5-imidazo[1,5-b]pyridazin-7-yl-2,5-dimethylhexan-2-yl)imidazo[1,2-a]pyrazine is CC(C)(CCC(C)(C)c1ncc2cccnn12)c1cn2ccncc2n1.
What is the InChIKey of 2-(5-imidazo[1,5-b]pyridazin-7-yl-2,5-dimethylhexan-2-yl)imidazo[1,2-a]pyrazine?
The InChIKey is JVQZMYLSTQIELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-19(2,16-14-25-11-10-21-13-17(25)24-16)7-8-20(3,4)18-22-12-15-6-5-9-23-26(15)18/h5-6,9-14H,7-8H2,1-4H3.
What are the key properties of 2-(5-imidazo[1,5-b]pyridazin-7-yl-2,5-dimethylhexan-2-yl)imidazo[1,2-a]pyrazine?
2-(5-imidazo[1,5-b]pyridazin-7-yl-2,5-dimethylhexan-2-yl)imidazo[1,2-a]pyrazine has a molecular weight of 348.45 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-imidazo[1,5-b]pyridazin-7-yl-2,5-dimethylhexan-2-yl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 138690305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).