3-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)anilino]propane-1,2-diol

C16H17ClN4O3 — CID 168594967

IUPAC3-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)anilino]propane-1,2-diol
SMILESCOc1ccc2nc(-c3ccc(Cl)c(NCC(O)CO)c3)cn2n1
InChIInChI=1S/C16H17ClN4O3/c1-24-16-5-4-15-19-14(8-21(15)20-16)10-2-3-12(17)13(6-10)18-7-11(23)9-22/h2-6,8,11,18,22-23H,7,9H2,1H3
InChIKeyKNYLAUGKDMGOQX-UHFFFAOYSA-N
MW348.79 g/mol
LogP1.82
Rot. Bonds6

About 3-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)anilino]propane-1,2-diol

3-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)anilino]propane-1,2-diol (PubChem CID 168594967) has the molecular formula C16H17ClN4O3 and a molecular weight of 348.79 g/mol. Its IUPAC name is 3-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)anilino]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)anilino]propane-1,2-diol
PubChem CID168594967
Molecular FormulaC16H17ClN4O3
Molecular Weight348.79 g/mol
Exact Mass348.10
IUPAC Name3-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)anilino]propane-1,2-diol
SMILESCOc1ccc2nc(-c3ccc(Cl)c(NCC(O)CO)c3)cn2n1
InChIInChI=1S/C16H17ClN4O3/c1-24-16-5-4-15-19-14(8-21(15)20-16)10-2-3-12(17)13(6-10)18-7-11(23)9-22/h2-6,8,11,18,22-23H,7,9H2,1H3
InChIKeyKNYLAUGKDMGOQX-UHFFFAOYSA-N
XLogP1.82
TPSA91.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)anilino]propane-1,2-diol?
The IUPAC name of 3-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)anilino]propane-1,2-diol (CID 168594967) is 3-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)anilino]propane-1,2-diol.
What is the SMILES notation for 3-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)anilino]propane-1,2-diol?
The canonical SMILES for 3-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)anilino]propane-1,2-diol is COc1ccc2nc(-c3ccc(Cl)c(NCC(O)CO)c3)cn2n1.
What is the InChIKey of 3-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)anilino]propane-1,2-diol?
The InChIKey is KNYLAUGKDMGOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O3/c1-24-16-5-4-15-19-14(8-21(15)20-16)10-2-3-12(17)13(6-10)18-7-11(23)9-22/h2-6,8,11,18,22-23H,7,9H2,1H3.
What are the key properties of 3-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)anilino]propane-1,2-diol?
3-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)anilino]propane-1,2-diol has a molecular weight of 348.79 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)anilino]propane-1,2-diol is sourced from PubChem (CID 168594967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).