3-(1H-indazol-5-yl)-6-(oxan-4-yloxy)imidazo[1,2-b]pyridazine

C18H17N5O2 — CID 163429926

IUPAC3-(1H-indazol-5-yl)-6-(oxan-4-yloxy)imidazo[1,2-b]pyridazine
SMILESc1cc2[nH]ncc2cc1-c1cnc2ccc(OC3CCOCC3)nn12
InChIInChI=1S/C18H17N5O2/c1-2-15-13(10-20-21-15)9-12(1)16-11-19-17-3-4-18(22-23(16)17)25-14-5-7-24-8-6-14/h1-4,9-11,14H,5-8H2,(H,20,21)
InChIKeyAPPLORSGTQIUDZ-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.83
Rot. Bonds3

About 3-(1H-indazol-5-yl)-6-(oxan-4-yloxy)imidazo[1,2-b]pyridazine

3-(1H-indazol-5-yl)-6-(oxan-4-yloxy)imidazo[1,2-b]pyridazine (PubChem CID 163429926) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 3-(1H-indazol-5-yl)-6-(oxan-4-yloxy)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-(1H-indazol-5-yl)-6-(oxan-4-yloxy)imidazo[1,2-b]pyridazine
PubChem CID163429926
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name3-(1H-indazol-5-yl)-6-(oxan-4-yloxy)imidazo[1,2-b]pyridazine
SMILESc1cc2[nH]ncc2cc1-c1cnc2ccc(OC3CCOCC3)nn12
InChIInChI=1S/C18H17N5O2/c1-2-15-13(10-20-21-15)9-12(1)16-11-19-17-3-4-18(22-23(16)17)25-14-5-7-24-8-6-14/h1-4,9-11,14H,5-8H2,(H,20,21)
InChIKeyAPPLORSGTQIUDZ-UHFFFAOYSA-N
XLogP2.83
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazol-5-yl)-6-(oxan-4-yloxy)imidazo[1,2-b]pyridazine?
The IUPAC name of 3-(1H-indazol-5-yl)-6-(oxan-4-yloxy)imidazo[1,2-b]pyridazine (CID 163429926) is 3-(1H-indazol-5-yl)-6-(oxan-4-yloxy)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-(1H-indazol-5-yl)-6-(oxan-4-yloxy)imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-(1H-indazol-5-yl)-6-(oxan-4-yloxy)imidazo[1,2-b]pyridazine is c1cc2[nH]ncc2cc1-c1cnc2ccc(OC3CCOCC3)nn12.
What is the InChIKey of 3-(1H-indazol-5-yl)-6-(oxan-4-yloxy)imidazo[1,2-b]pyridazine?
The InChIKey is APPLORSGTQIUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-2-15-13(10-20-21-15)9-12(1)16-11-19-17-3-4-18(22-23(16)17)25-14-5-7-24-8-6-14/h1-4,9-11,14H,5-8H2,(H,20,21).
What are the key properties of 3-(1H-indazol-5-yl)-6-(oxan-4-yloxy)imidazo[1,2-b]pyridazine?
3-(1H-indazol-5-yl)-6-(oxan-4-yloxy)imidazo[1,2-b]pyridazine has a molecular weight of 335.37 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-5-yl)-6-(oxan-4-yloxy)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 163429926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).