3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine

C24H25N3O2 — CID 134179384

IUPAC3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine
SMILESCC(C)Oc1ccc(-c2ccc3ncc(-c4ccc(OC(C)C)cc4)n3n2)cc1
InChIInChI=1S/C24H25N3O2/c1-16(2)28-20-9-5-18(6-10-20)22-13-14-24-25-15-23(27(24)26-22)19-7-11-21(12-8-19)29-17(3)4/h5-17H,1-4H3
InChIKeyKMKRHBSPYFQDKY-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.64
Rot. Bonds6

About 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine

3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine (PubChem CID 134179384) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine
PubChem CID134179384
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine
SMILESCC(C)Oc1ccc(-c2ccc3ncc(-c4ccc(OC(C)C)cc4)n3n2)cc1
InChIInChI=1S/C24H25N3O2/c1-16(2)28-20-9-5-18(6-10-20)22-13-14-24-25-15-23(27(24)26-22)19-7-11-21(12-8-19)29-17(3)4/h5-17H,1-4H3
InChIKeyKMKRHBSPYFQDKY-UHFFFAOYSA-N
XLogP5.64
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine (CID 134179384) is 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine is CC(C)Oc1ccc(-c2ccc3ncc(-c4ccc(OC(C)C)cc4)n3n2)cc1.
What is the InChIKey of 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine?
The InChIKey is KMKRHBSPYFQDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-16(2)28-20-9-5-18(6-10-20)22-13-14-24-25-15-23(27(24)26-22)19-7-11-21(12-8-19)29-17(3)4/h5-17H,1-4H3.
What are the key properties of 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine?
3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine has a molecular weight of 387.48 g/mol, XLogP of 5.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 134179384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).