3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-8-amine

C21H27N5O3 — CID 118737305

IUPAC3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-8-amine
SMILESCOc1ccc(-c2c(C)nc3c(NCCN4CCOCC4)ccnn23)cc1OC
InChIInChI=1S/C21H27N5O3/c1-15-20(16-4-5-18(27-2)19(14-16)28-3)26-21(24-15)17(6-7-23-26)22-8-9-25-10-12-29-13-11-25/h4-7,14,22H,8-13H2,1-3H3
InChIKeyCFLABOGUXKYRSK-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.47
Rot. Bonds7

About 3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-8-amine

3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-8-amine (PubChem CID 118737305) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-8-amine
PubChem CID118737305
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-8-amine
SMILESCOc1ccc(-c2c(C)nc3c(NCCN4CCOCC4)ccnn23)cc1OC
InChIInChI=1S/C21H27N5O3/c1-15-20(16-4-5-18(27-2)19(14-16)28-3)26-21(24-15)17(6-7-23-26)22-8-9-25-10-12-29-13-11-25/h4-7,14,22H,8-13H2,1-3H3
InChIKeyCFLABOGUXKYRSK-UHFFFAOYSA-N
XLogP2.47
TPSA73.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-8-amine (CID 118737305) is 3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-8-amine is COc1ccc(-c2c(C)nc3c(NCCN4CCOCC4)ccnn23)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-8-amine?
The InChIKey is CFLABOGUXKYRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-15-20(16-4-5-18(27-2)19(14-16)28-3)26-21(24-15)17(6-7-23-26)22-8-9-25-10-12-29-13-11-25/h4-7,14,22H,8-13H2,1-3H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-8-amine?
3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 397.48 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 118737305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).