6-chloro-8-[1-[5-(difluoromethoxy)-2-pyridinyl]propan-2-yl]imidazo[1,2-b]pyridazine

C15H13ClF2N4O — CID 157033747

IUPAC6-chloro-8-[1-[5-(difluoromethoxy)-2-pyridinyl]propan-2-yl]imidazo[1,2-b]pyridazine
SMILESCC(Cc1ccc(OC(F)F)cn1)c1cc(Cl)nn2ccnc12
InChIInChI=1S/C15H13ClF2N4O/c1-9(6-10-2-3-11(8-20-10)23-15(17)18)12-7-13(16)21-22-5-4-19-14(12)22/h2-5,7-9,15H,6H2,1H3
InChIKeyKVAIOZDXRLCILP-UHFFFAOYSA-N
MW338.75 g/mol
LogP3.73
Rot. Bonds5

About 6-chloro-8-[1-[5-(difluoromethoxy)-2-pyridinyl]propan-2-yl]imidazo[1,2-b]pyridazine

6-chloro-8-[1-[5-(difluoromethoxy)-2-pyridinyl]propan-2-yl]imidazo[1,2-b]pyridazine (PubChem CID 157033747) has the molecular formula C15H13ClF2N4O and a molecular weight of 338.75 g/mol. Its IUPAC name is 6-chloro-8-[1-[5-(difluoromethoxy)-2-pyridinyl]propan-2-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-chloro-8-[1-[5-(difluoromethoxy)-2-pyridinyl]propan-2-yl]imidazo[1,2-b]pyridazine
PubChem CID157033747
Molecular FormulaC15H13ClF2N4O
Molecular Weight338.75 g/mol
Exact Mass338.07
IUPAC Name6-chloro-8-[1-[5-(difluoromethoxy)-2-pyridinyl]propan-2-yl]imidazo[1,2-b]pyridazine
SMILESCC(Cc1ccc(OC(F)F)cn1)c1cc(Cl)nn2ccnc12
InChIInChI=1S/C15H13ClF2N4O/c1-9(6-10-2-3-11(8-20-10)23-15(17)18)12-7-13(16)21-22-5-4-19-14(12)22/h2-5,7-9,15H,6H2,1H3
InChIKeyKVAIOZDXRLCILP-UHFFFAOYSA-N
XLogP3.73
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.75
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-[1-[5-(difluoromethoxy)-2-pyridinyl]propan-2-yl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-chloro-8-[1-[5-(difluoromethoxy)-2-pyridinyl]propan-2-yl]imidazo[1,2-b]pyridazine (CID 157033747) is 6-chloro-8-[1-[5-(difluoromethoxy)-2-pyridinyl]propan-2-yl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-chloro-8-[1-[5-(difluoromethoxy)-2-pyridinyl]propan-2-yl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-chloro-8-[1-[5-(difluoromethoxy)-2-pyridinyl]propan-2-yl]imidazo[1,2-b]pyridazine is CC(Cc1ccc(OC(F)F)cn1)c1cc(Cl)nn2ccnc12.
What is the InChIKey of 6-chloro-8-[1-[5-(difluoromethoxy)-2-pyridinyl]propan-2-yl]imidazo[1,2-b]pyridazine?
The InChIKey is KVAIOZDXRLCILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N4O/c1-9(6-10-2-3-11(8-20-10)23-15(17)18)12-7-13(16)21-22-5-4-19-14(12)22/h2-5,7-9,15H,6H2,1H3.
What are the key properties of 6-chloro-8-[1-[5-(difluoromethoxy)-2-pyridinyl]propan-2-yl]imidazo[1,2-b]pyridazine?
6-chloro-8-[1-[5-(difluoromethoxy)-2-pyridinyl]propan-2-yl]imidazo[1,2-b]pyridazine has a molecular weight of 338.75 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-[1-[5-(difluoromethoxy)-2-pyridinyl]propan-2-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 157033747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).