6-[4-[(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile

C20H22N6O — CID 154582657

IUPAC6-[4-[(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile
SMILESCc1nc2ccc(OCC3CCN(c4cccc(C#N)n4)CC3)nn2c1C
InChIInChI=1S/C20H22N6O/c1-14-15(2)26-19(22-14)6-7-20(24-26)27-13-16-8-10-25(11-9-16)18-5-3-4-17(12-21)23-18/h3-7,16H,8-11,13H2,1-2H3
InChIKeyCEIGNTQHMBONDD-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.91
Rot. Bonds4

About 6-[4-[(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile

6-[4-[(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile (PubChem CID 154582657) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 6-[4-[(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[4-[(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile
PubChem CID154582657
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name6-[4-[(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile
SMILESCc1nc2ccc(OCC3CCN(c4cccc(C#N)n4)CC3)nn2c1C
InChIInChI=1S/C20H22N6O/c1-14-15(2)26-19(22-14)6-7-20(24-26)27-13-16-8-10-25(11-9-16)18-5-3-4-17(12-21)23-18/h3-7,16H,8-11,13H2,1-2H3
InChIKeyCEIGNTQHMBONDD-UHFFFAOYSA-N
XLogP2.91
TPSA79.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[4-[(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile (CID 154582657) is 6-[4-[(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[4-[(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[4-[(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile is Cc1nc2ccc(OCC3CCN(c4cccc(C#N)n4)CC3)nn2c1C.
What is the InChIKey of 6-[4-[(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is CEIGNTQHMBONDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-14-15(2)26-19(22-14)6-7-20(24-26)27-13-16-8-10-25(11-9-16)18-5-3-4-17(12-21)23-18/h3-7,16H,8-11,13H2,1-2H3.
What are the key properties of 6-[4-[(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile?
6-[4-[(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 362.44 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 154582657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).