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

C22H22N4O4 — CID 134805362

IUPACN,6-bis(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-amine
SMILESCOc1ccc(Nc2cnc3ccc(-c4ccc(OC)c(OC)c4)nn23)cc1OC
InChIInChI=1S/C22H22N4O4/c1-27-17-8-5-14(11-19(17)29-3)16-7-10-21-23-13-22(26(21)25-16)24-15-6-9-18(28-2)20(12-15)30-4/h5-13,24H,1-4H3
InChIKeyOBVIEOOQZSSGAM-UHFFFAOYSA-N
MW406.44 g/mol
LogP4.17
Rot. Bonds7

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

N,6-bis(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-amine (PubChem CID 134805362) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is N,6-bis(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-amine.

Molecular Properties

Compound NameN,6-bis(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-amine
PubChem CID134805362
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC NameN,6-bis(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-amine
SMILESCOc1ccc(Nc2cnc3ccc(-c4ccc(OC)c(OC)c4)nn23)cc1OC
InChIInChI=1S/C22H22N4O4/c1-27-17-8-5-14(11-19(17)29-3)16-7-10-21-23-13-22(26(21)25-16)24-15-6-9-18(28-2)20(12-15)30-4/h5-13,24H,1-4H3
InChIKeyOBVIEOOQZSSGAM-UHFFFAOYSA-N
XLogP4.17
TPSA79.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,6-bis(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-amine?
The IUPAC name of N,6-bis(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-amine (CID 134805362) is N,6-bis(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-amine.
What is the SMILES notation for N,6-bis(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-amine?
The canonical SMILES for N,6-bis(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-amine is COc1ccc(Nc2cnc3ccc(-c4ccc(OC)c(OC)c4)nn23)cc1OC.
What is the InChIKey of N,6-bis(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-amine?
The InChIKey is OBVIEOOQZSSGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-27-17-8-5-14(11-19(17)29-3)16-7-10-21-23-13-22(26(21)25-16)24-15-6-9-18(28-2)20(12-15)30-4/h5-13,24H,1-4H3.
What are the key properties of N,6-bis(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-amine?
N,6-bis(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-amine has a molecular weight of 406.44 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-bis(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-amine is sourced from PubChem (CID 134805362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).