1-[[3-[4-(1,3-dioxolan-2-yl)phenyl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol

C25H25FN4O3 — CID 66695618

IUPAC1-[[3-[4-(1,3-dioxolan-2-yl)phenyl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1cc(-c2ccc(F)cc2)nn2c(-c3ccc(C4OCCO4)cc3)cnc12
InChIInChI=1S/C25H25FN4O3/c1-25(2,31)15-28-21-13-20(16-7-9-19(26)10-8-16)29-30-22(14-27-23(21)30)17-3-5-18(6-4-17)24-32-11-12-33-24/h3-10,13-14,24,28,31H,11-12,15H2,1-2H3
InChIKeyQXLVWPSRZHYLLA-UHFFFAOYSA-N
MW448.50 g/mol
LogP4.43
Rot. Bonds6

About 1-[[3-[4-(1,3-dioxolan-2-yl)phenyl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol

1-[[3-[4-(1,3-dioxolan-2-yl)phenyl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol (PubChem CID 66695618) has the molecular formula C25H25FN4O3 and a molecular weight of 448.50 g/mol. Its IUPAC name is 1-[[3-[4-(1,3-dioxolan-2-yl)phenyl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[3-[4-(1,3-dioxolan-2-yl)phenyl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol
PubChem CID66695618
Molecular FormulaC25H25FN4O3
Molecular Weight448.50 g/mol
Exact Mass448.19
IUPAC Name1-[[3-[4-(1,3-dioxolan-2-yl)phenyl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1cc(-c2ccc(F)cc2)nn2c(-c3ccc(C4OCCO4)cc3)cnc12
InChIInChI=1S/C25H25FN4O3/c1-25(2,31)15-28-21-13-20(16-7-9-19(26)10-8-16)29-30-22(14-27-23(21)30)17-3-5-18(6-4-17)24-32-11-12-33-24/h3-10,13-14,24,28,31H,11-12,15H2,1-2H3
InChIKeyQXLVWPSRZHYLLA-UHFFFAOYSA-N
XLogP4.43
TPSA80.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[4-(1,3-dioxolan-2-yl)phenyl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[3-[4-(1,3-dioxolan-2-yl)phenyl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol (CID 66695618) is 1-[[3-[4-(1,3-dioxolan-2-yl)phenyl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[3-[4-(1,3-dioxolan-2-yl)phenyl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[3-[4-(1,3-dioxolan-2-yl)phenyl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol is CC(C)(O)CNc1cc(-c2ccc(F)cc2)nn2c(-c3ccc(C4OCCO4)cc3)cnc12.
What is the InChIKey of 1-[[3-[4-(1,3-dioxolan-2-yl)phenyl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol?
The InChIKey is QXLVWPSRZHYLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O3/c1-25(2,31)15-28-21-13-20(16-7-9-19(26)10-8-16)29-30-22(14-27-23(21)30)17-3-5-18(6-4-17)24-32-11-12-33-24/h3-10,13-14,24,28,31H,11-12,15H2,1-2H3.
What are the key properties of 1-[[3-[4-(1,3-dioxolan-2-yl)phenyl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol?
1-[[3-[4-(1,3-dioxolan-2-yl)phenyl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol has a molecular weight of 448.50 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[4-(1,3-dioxolan-2-yl)phenyl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 66695618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).