6-chloro-3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine

C16H14ClN7 — CID 22335108

IUPAC6-chloro-3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine
SMILESCCc1c(Cn2ccnc2-c2ncccn2)nc2ccc(Cl)nn12
InChIInChI=1S/C16H14ClN7/c1-2-12-11(21-14-5-4-13(17)22-24(12)14)10-23-9-8-20-16(23)15-18-6-3-7-19-15/h3-9H,2,10H2,1H3
InChIKeyZHYBYYHDBGVPAJ-UHFFFAOYSA-N
MW339.79 g/mol
LogP2.65
Rot. Bonds4

About 6-chloro-3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine

6-chloro-3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine (PubChem CID 22335108) has the molecular formula C16H14ClN7 and a molecular weight of 339.79 g/mol. Its IUPAC name is 6-chloro-3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine
PubChem CID22335108
Molecular FormulaC16H14ClN7
Molecular Weight339.79 g/mol
Exact Mass339.10
IUPAC Name6-chloro-3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine
SMILESCCc1c(Cn2ccnc2-c2ncccn2)nc2ccc(Cl)nn12
InChIInChI=1S/C16H14ClN7/c1-2-12-11(21-14-5-4-13(17)22-24(12)14)10-23-9-8-20-16(23)15-18-6-3-7-19-15/h3-9H,2,10H2,1H3
InChIKeyZHYBYYHDBGVPAJ-UHFFFAOYSA-N
XLogP2.65
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-chloro-3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine (CID 22335108) is 6-chloro-3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-chloro-3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-chloro-3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine is CCc1c(Cn2ccnc2-c2ncccn2)nc2ccc(Cl)nn12.
What is the InChIKey of 6-chloro-3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine?
The InChIKey is ZHYBYYHDBGVPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN7/c1-2-12-11(21-14-5-4-13(17)22-24(12)14)10-23-9-8-20-16(23)15-18-6-3-7-19-15/h3-9H,2,10H2,1H3.
What are the key properties of 6-chloro-3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine?
6-chloro-3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine has a molecular weight of 339.79 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 22335108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).