2,3-dimethyl-6-[2-(1-methyl-4-pyridin-4-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine

C19H20N6 — CID 118278077

IUPAC2,3-dimethyl-6-[2-(1-methyl-4-pyridin-4-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine
SMILESCc1nc2ccc(CCc3nc(-c4ccncc4)cn3C)nn2c1C
InChIInChI=1S/C19H20N6/c1-13-14(2)25-19(21-13)7-5-16(23-25)4-6-18-22-17(12-24(18)3)15-8-10-20-11-9-15/h5,7-12H,4,6H2,1-3H3
InChIKeyXLLJJDXEUXVPPB-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.93
Rot. Bonds4

About 2,3-dimethyl-6-[2-(1-methyl-4-pyridin-4-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine

2,3-dimethyl-6-[2-(1-methyl-4-pyridin-4-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine (PubChem CID 118278077) has the molecular formula C19H20N6 and a molecular weight of 332.41 g/mol. Its IUPAC name is 2,3-dimethyl-6-[2-(1-methyl-4-pyridin-4-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2,3-dimethyl-6-[2-(1-methyl-4-pyridin-4-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine
PubChem CID118278077
Molecular FormulaC19H20N6
Molecular Weight332.41 g/mol
Exact Mass332.17
IUPAC Name2,3-dimethyl-6-[2-(1-methyl-4-pyridin-4-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine
SMILESCc1nc2ccc(CCc3nc(-c4ccncc4)cn3C)nn2c1C
InChIInChI=1S/C19H20N6/c1-13-14(2)25-19(21-13)7-5-16(23-25)4-6-18-22-17(12-24(18)3)15-8-10-20-11-9-15/h5,7-12H,4,6H2,1-3H3
InChIKeyXLLJJDXEUXVPPB-UHFFFAOYSA-N
XLogP2.93
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-[2-(1-methyl-4-pyridin-4-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 2,3-dimethyl-6-[2-(1-methyl-4-pyridin-4-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine (CID 118278077) is 2,3-dimethyl-6-[2-(1-methyl-4-pyridin-4-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 2,3-dimethyl-6-[2-(1-methyl-4-pyridin-4-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 2,3-dimethyl-6-[2-(1-methyl-4-pyridin-4-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine is Cc1nc2ccc(CCc3nc(-c4ccncc4)cn3C)nn2c1C.
What is the InChIKey of 2,3-dimethyl-6-[2-(1-methyl-4-pyridin-4-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine?
The InChIKey is XLLJJDXEUXVPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6/c1-13-14(2)25-19(21-13)7-5-16(23-25)4-6-18-22-17(12-24(18)3)15-8-10-20-11-9-15/h5,7-12H,4,6H2,1-3H3.
What are the key properties of 2,3-dimethyl-6-[2-(1-methyl-4-pyridin-4-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine?
2,3-dimethyl-6-[2-(1-methyl-4-pyridin-4-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine has a molecular weight of 332.41 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-[2-(1-methyl-4-pyridin-4-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 118278077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).