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

C20H22N6O — CID 154580490

IUPAC3-[4-[(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile
SMILESCc1nc2ccc(OCC3CCN(c4cccnc4C#N)CC3)nn2c1C
InChIInChI=1S/C20H22N6O/c1-14-15(2)26-19(23-14)5-6-20(24-26)27-13-16-7-10-25(11-8-16)18-4-3-9-22-17(18)12-21/h3-6,9,16H,7-8,10-11,13H2,1-2H3
InChIKeyXHNWQPUWZGRMBU-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.91
Rot. Bonds4

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

3-[4-[(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile (PubChem CID 154580490) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 3-[4-[(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-[(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile
PubChem CID154580490
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name3-[4-[(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile
SMILESCc1nc2ccc(OCC3CCN(c4cccnc4C#N)CC3)nn2c1C
InChIInChI=1S/C20H22N6O/c1-14-15(2)26-19(23-14)5-6-20(24-26)27-13-16-7-10-25(11-8-16)18-4-3-9-22-17(18)12-21/h3-6,9,16H,7-8,10-11,13H2,1-2H3
InChIKeyXHNWQPUWZGRMBU-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 3-[4-[(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 3-[4-[(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile (CID 154580490) is 3-[4-[(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[4-[(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[4-[(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile is Cc1nc2ccc(OCC3CCN(c4cccnc4C#N)CC3)nn2c1C.
What is the InChIKey of 3-[4-[(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is XHNWQPUWZGRMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-14-15(2)26-19(23-14)5-6-20(24-26)27-13-16-7-10-25(11-8-16)18-4-3-9-22-17(18)12-21/h3-6,9,16H,7-8,10-11,13H2,1-2H3.
What are the key properties of 3-[4-[(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile?
3-[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 3-[4-[(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 154580490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).