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

C15H12ClN7 — CID 22335088

IUPAC6-chloro-3-methyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine
SMILESCc1c(Cn2ccnc2-c2ncccn2)nc2ccc(Cl)nn12
InChIInChI=1S/C15H12ClN7/c1-10-11(20-13-4-3-12(16)21-23(10)13)9-22-8-7-19-15(22)14-17-5-2-6-18-14/h2-8H,9H2,1H3
InChIKeyICNPUFSVHBYHCV-UHFFFAOYSA-N
MW325.76 g/mol
LogP2.39
Rot. Bonds3

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

6-chloro-3-methyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine (PubChem CID 22335088) has the molecular formula C15H12ClN7 and a molecular weight of 325.76 g/mol. Its IUPAC name is 6-chloro-3-methyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-methyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine
PubChem CID22335088
Molecular FormulaC15H12ClN7
Molecular Weight325.76 g/mol
Exact Mass325.08
IUPAC Name6-chloro-3-methyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine
SMILESCc1c(Cn2ccnc2-c2ncccn2)nc2ccc(Cl)nn12
InChIInChI=1S/C15H12ClN7/c1-10-11(20-13-4-3-12(16)21-23(10)13)9-22-8-7-19-15(22)14-17-5-2-6-18-14/h2-8H,9H2,1H3
InChIKeyICNPUFSVHBYHCV-UHFFFAOYSA-N
XLogP2.39
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-chloro-3-methyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine (CID 22335088) is 6-chloro-3-methyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-chloro-3-methyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-chloro-3-methyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine is Cc1c(Cn2ccnc2-c2ncccn2)nc2ccc(Cl)nn12.
What is the InChIKey of 6-chloro-3-methyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine?
The InChIKey is ICNPUFSVHBYHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN7/c1-10-11(20-13-4-3-12(16)21-23(10)13)9-22-8-7-19-15(22)14-17-5-2-6-18-14/h2-8H,9H2,1H3.
What are the key properties of 6-chloro-3-methyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine?
6-chloro-3-methyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine has a molecular weight of 325.76 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 22335088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).