6-[[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]methoxy]-2,3-dimethylimidazo[1,2-b]pyridazine

C18H21ClN6O — CID 154582669

IUPAC6-[[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]methoxy]-2,3-dimethylimidazo[1,2-b]pyridazine
SMILESCc1nc2ccc(OCC3CCN(c4ncc(Cl)cn4)CC3)nn2c1C
InChIInChI=1S/C18H21ClN6O/c1-12-13(2)25-16(22-12)3-4-17(23-25)26-11-14-5-7-24(8-6-14)18-20-9-15(19)10-21-18/h3-4,9-10,14H,5-8,11H2,1-2H3
InChIKeyBUFDONWHJMPKJP-UHFFFAOYSA-N
MW372.86 g/mol
LogP3.08
Rot. Bonds4

About 6-[[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]methoxy]-2,3-dimethylimidazo[1,2-b]pyridazine

6-[[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]methoxy]-2,3-dimethylimidazo[1,2-b]pyridazine (PubChem CID 154582669) has the molecular formula C18H21ClN6O and a molecular weight of 372.86 g/mol. Its IUPAC name is 6-[[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]methoxy]-2,3-dimethylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-[[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]methoxy]-2,3-dimethylimidazo[1,2-b]pyridazine
PubChem CID154582669
Molecular FormulaC18H21ClN6O
Molecular Weight372.86 g/mol
Exact Mass372.15
IUPAC Name6-[[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]methoxy]-2,3-dimethylimidazo[1,2-b]pyridazine
SMILESCc1nc2ccc(OCC3CCN(c4ncc(Cl)cn4)CC3)nn2c1C
InChIInChI=1S/C18H21ClN6O/c1-12-13(2)25-16(22-12)3-4-17(23-25)26-11-14-5-7-24(8-6-14)18-20-9-15(19)10-21-18/h3-4,9-10,14H,5-8,11H2,1-2H3
InChIKeyBUFDONWHJMPKJP-UHFFFAOYSA-N
XLogP3.08
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]methoxy]-2,3-dimethylimidazo[1,2-b]pyridazine?
The IUPAC name of 6-[[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]methoxy]-2,3-dimethylimidazo[1,2-b]pyridazine (CID 154582669) is 6-[[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]methoxy]-2,3-dimethylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]methoxy]-2,3-dimethylimidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]methoxy]-2,3-dimethylimidazo[1,2-b]pyridazine is Cc1nc2ccc(OCC3CCN(c4ncc(Cl)cn4)CC3)nn2c1C.
What is the InChIKey of 6-[[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]methoxy]-2,3-dimethylimidazo[1,2-b]pyridazine?
The InChIKey is BUFDONWHJMPKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN6O/c1-12-13(2)25-16(22-12)3-4-17(23-25)26-11-14-5-7-24(8-6-14)18-20-9-15(19)10-21-18/h3-4,9-10,14H,5-8,11H2,1-2H3.
What are the key properties of 6-[[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]methoxy]-2,3-dimethylimidazo[1,2-b]pyridazine?
6-[[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]methoxy]-2,3-dimethylimidazo[1,2-b]pyridazine has a molecular weight of 372.86 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]methoxy]-2,3-dimethylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 154582669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).