[2-[3-[4-(1,3-dioxolan-2-yl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol

C25H23F3N4O3 — CID 66695598

IUPAC[2-[3-[4-(1,3-dioxolan-2-yl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol
SMILESOCc1ccccc1-c1cc(NCCC(F)(F)F)c2ncc(-c3ccc(C4OCCO4)cc3)n2n1
InChIInChI=1S/C25H23F3N4O3/c26-25(27,28)9-10-29-21-13-20(19-4-2-1-3-18(19)15-33)31-32-22(14-30-23(21)32)16-5-7-17(8-6-16)24-34-11-12-35-24/h1-8,13-14,24,29,33H,9-12,15H2
InChIKeyKPKXGHISVNPSIV-UHFFFAOYSA-N
MW484.48 g/mol
LogP4.97
Rot. Bonds7

About [2-[3-[4-(1,3-dioxolan-2-yl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol

[2-[3-[4-(1,3-dioxolan-2-yl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol (PubChem CID 66695598) has the molecular formula C25H23F3N4O3 and a molecular weight of 484.48 g/mol. Its IUPAC name is [2-[3-[4-(1,3-dioxolan-2-yl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-[3-[4-(1,3-dioxolan-2-yl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol
PubChem CID66695598
Molecular FormulaC25H23F3N4O3
Molecular Weight484.48 g/mol
Exact Mass484.17
IUPAC Name[2-[3-[4-(1,3-dioxolan-2-yl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol
SMILESOCc1ccccc1-c1cc(NCCC(F)(F)F)c2ncc(-c3ccc(C4OCCO4)cc3)n2n1
InChIInChI=1S/C25H23F3N4O3/c26-25(27,28)9-10-29-21-13-20(19-4-2-1-3-18(19)15-33)31-32-22(14-30-23(21)32)16-5-7-17(8-6-16)24-34-11-12-35-24/h1-8,13-14,24,29,33H,9-12,15H2
InChIKeyKPKXGHISVNPSIV-UHFFFAOYSA-N
XLogP4.97
TPSA80.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.48
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-[3-[4-(1,3-dioxolan-2-yl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[3-[4-(1,3-dioxolan-2-yl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol?
The IUPAC name of [2-[3-[4-(1,3-dioxolan-2-yl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol (CID 66695598) is [2-[3-[4-(1,3-dioxolan-2-yl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol.
What is the SMILES notation for [2-[3-[4-(1,3-dioxolan-2-yl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol?
The canonical SMILES for [2-[3-[4-(1,3-dioxolan-2-yl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol is OCc1ccccc1-c1cc(NCCC(F)(F)F)c2ncc(-c3ccc(C4OCCO4)cc3)n2n1.
What is the InChIKey of [2-[3-[4-(1,3-dioxolan-2-yl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol?
The InChIKey is KPKXGHISVNPSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O3/c26-25(27,28)9-10-29-21-13-20(19-4-2-1-3-18(19)15-33)31-32-22(14-30-23(21)32)16-5-7-17(8-6-16)24-34-11-12-35-24/h1-8,13-14,24,29,33H,9-12,15H2.
What are the key properties of [2-[3-[4-(1,3-dioxolan-2-yl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol?
[2-[3-[4-(1,3-dioxolan-2-yl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol has a molecular weight of 484.48 g/mol, XLogP of 4.97, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[4-(1,3-dioxolan-2-yl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol is sourced from PubChem (CID 66695598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).