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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Related Compounds

5-Chloranyl-4-Imidazo[1,2-A]pyridin-3-Yl-N-(3-Methyl-1-Piperidin-4-Yl-Pyrazol-4-Yl)pyrimidin-2-Amine
CID 122177112
5-Chloranyl-4-Imidazo[1,2-A]pyridin-3-Yl-N-(5-Methyl-1-Piperidin-4-Yl-Pyrazol-4-Yl)pyrimidin-2-Amine
CID 122177111
US10399985, Example 23
CID 118278081
US10399985, Example 29
CID 118278224
US10399985, Example 27
CID 118278230
US10399985, Example 26
CID 118288254
5,8-Dimethyl-2-(2-pyridin-2-ylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazine
CID 118525755
6,8-Dichloro-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 165415152
6,8-Dichloro-2-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 165415218
2-[2-(6,8-Dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 165415221
6,8-Dichloro-5-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 165415321
3-[(6-Chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 3335895

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).