3-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine

C20H19N5O2 — CID 58857812

IUPAC3-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1ccc(-c2cnc3ccc(NCc4ccccn4)nn23)cc1OC
InChIInChI=1S/C20H19N5O2/c1-26-17-7-6-14(11-18(17)27-2)16-13-23-20-9-8-19(24-25(16)20)22-12-15-5-3-4-10-21-15/h3-11,13H,12H2,1-2H3,(H,22,24)
InChIKeyHLYWEVACLORZTM-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.42
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine

3-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 58857812) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID58857812
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1ccc(-c2cnc3ccc(NCc4ccccn4)nn23)cc1OC
InChIInChI=1S/C20H19N5O2/c1-26-17-7-6-14(11-18(17)27-2)16-13-23-20-9-8-19(24-25(16)20)22-12-15-5-3-4-10-21-15/h3-11,13H,12H2,1-2H3,(H,22,24)
InChIKeyHLYWEVACLORZTM-UHFFFAOYSA-N
XLogP3.42
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (CID 58857812) is 3-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is COc1ccc(-c2cnc3ccc(NCc4ccccn4)nn23)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is HLYWEVACLORZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-26-17-7-6-14(11-18(17)27-2)16-13-23-20-9-8-19(24-25(16)20)22-12-15-5-3-4-10-21-15/h3-11,13H,12H2,1-2H3,(H,22,24).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
3-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 361.41 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 58857812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).