6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine

C18H16ClF3N4O2 — CID 87110714

IUPAC6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine
SMILESFC(F)(F)CCNc1cc(Cl)nn2c(-c3ccc(C4OCCO4)cc3)cnc12
InChIInChI=1S/C18H16ClF3N4O2/c19-15-9-13(23-6-5-18(20,21)22)16-24-10-14(26(16)25-15)11-1-3-12(4-2-11)17-27-7-8-28-17/h1-4,9-10,17,23H,5-8H2
InChIKeyASNCWFZNEXNXJP-UHFFFAOYSA-N
MW412.80 g/mol
LogP4.46
Rot. Bonds5

About 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine

6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine (PubChem CID 87110714) has the molecular formula C18H16ClF3N4O2 and a molecular weight of 412.80 g/mol. Its IUPAC name is 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound Name6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine
PubChem CID87110714
Molecular FormulaC18H16ClF3N4O2
Molecular Weight412.80 g/mol
Exact Mass412.09
IUPAC Name6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine
SMILESFC(F)(F)CCNc1cc(Cl)nn2c(-c3ccc(C4OCCO4)cc3)cnc12
InChIInChI=1S/C18H16ClF3N4O2/c19-15-9-13(23-6-5-18(20,21)22)16-24-10-14(26(16)25-15)11-1-3-12(4-2-11)17-27-7-8-28-17/h1-4,9-10,17,23H,5-8H2
InChIKeyASNCWFZNEXNXJP-UHFFFAOYSA-N
XLogP4.46
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.80
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine 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 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine (CID 87110714) is 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine is FC(F)(F)CCNc1cc(Cl)nn2c(-c3ccc(C4OCCO4)cc3)cnc12.
What is the InChIKey of 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine?
The InChIKey is ASNCWFZNEXNXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N4O2/c19-15-9-13(23-6-5-18(20,21)22)16-24-10-14(26(16)25-15)11-1-3-12(4-2-11)17-27-7-8-28-17/h1-4,9-10,17,23H,5-8H2.
What are the key properties of 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine?
6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 412.80 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 87110714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).