5-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile

C21H17N5O2 — CID 25121787

IUPAC5-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile
SMILESCOc1ccc(-c2ccc3nc(C)c(-c4cncc(C#N)c4)n3n2)cc1OC
InChIInChI=1S/C21H17N5O2/c1-13-21(16-8-14(10-22)11-23-12-16)26-20(24-13)7-5-17(25-26)15-4-6-18(27-2)19(9-15)28-3/h4-9,11-12H,1-3H3
InChIKeyHSASPLBUXUERGN-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.66
Rot. Bonds4

About 5-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile

5-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile (PubChem CID 25121787) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 5-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile
PubChem CID25121787
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC Name5-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile
SMILESCOc1ccc(-c2ccc3nc(C)c(-c4cncc(C#N)c4)n3n2)cc1OC
InChIInChI=1S/C21H17N5O2/c1-13-21(16-8-14(10-22)11-23-12-16)26-20(24-13)7-5-17(25-26)15-4-6-18(27-2)19(9-15)28-3/h4-9,11-12H,1-3H3
InChIKeyHSASPLBUXUERGN-UHFFFAOYSA-N
XLogP3.66
TPSA85.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile (CID 25121787) is 5-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile is COc1ccc(-c2ccc3nc(C)c(-c4cncc(C#N)c4)n3n2)cc1OC.
What is the InChIKey of 5-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile?
The InChIKey is HSASPLBUXUERGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c1-13-21(16-8-14(10-22)11-23-12-16)26-20(24-13)7-5-17(25-26)15-4-6-18(27-2)19(9-15)28-3/h4-9,11-12H,1-3H3.
What are the key properties of 5-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile?
5-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile has a molecular weight of 371.40 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 25121787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).