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

C20H22ClFN4O2 — CID 123684949

IUPAC6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3-fluoro-3-methylbutyl)imidazo[1,2-b]pyridazin-8-amine
SMILESCC(C)(F)CCNc1cc(Cl)nn2c(-c3ccc(C4OCCO4)cc3)cnc12
InChIInChI=1S/C20H22ClFN4O2/c1-20(2,22)7-8-23-15-11-17(21)25-26-16(12-24-18(15)26)13-3-5-14(6-4-13)19-27-9-10-28-19/h3-6,11-12,19,23H,7-10H2,1-2H3
InChIKeyJPUXLWMTMXDKNF-UHFFFAOYSA-N
MW404.87 g/mol
LogP4.65
Rot. Bonds6

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

6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3-fluoro-3-methylbutyl)imidazo[1,2-b]pyridazin-8-amine (PubChem CID 123684949) has the molecular formula C20H22ClFN4O2 and a molecular weight of 404.87 g/mol. Its IUPAC name is 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3-fluoro-3-methylbutyl)imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound Name6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3-fluoro-3-methylbutyl)imidazo[1,2-b]pyridazin-8-amine
PubChem CID123684949
Molecular FormulaC20H22ClFN4O2
Molecular Weight404.87 g/mol
Exact Mass404.14
IUPAC Name6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3-fluoro-3-methylbutyl)imidazo[1,2-b]pyridazin-8-amine
SMILESCC(C)(F)CCNc1cc(Cl)nn2c(-c3ccc(C4OCCO4)cc3)cnc12
InChIInChI=1S/C20H22ClFN4O2/c1-20(2,22)7-8-23-15-11-17(21)25-26-16(12-24-18(15)26)13-3-5-14(6-4-13)19-27-9-10-28-19/h3-6,11-12,19,23H,7-10H2,1-2H3
InChIKeyJPUXLWMTMXDKNF-UHFFFAOYSA-N
XLogP4.65
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.87
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(1,3-dioxolan-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine
CID 6538809
2-(1-{2-[(4-chlorobenzyl)oxy]ethyl}-1H-imidazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 70766530
[3-[3-[4-(1,3-Dioxolan-2-yl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol
CID 66692299
3-[4-(1,3-dioxolan-2-yl)phenyl]-6-(2-methylpyrazol-3-yl)-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine
CID 66692317
1-[[3-[4-(1,3-Dioxolan-2-yl)phenyl]-6-(3-fluorophenyl)sulfanylimidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol
CID 66695578
[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
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
6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine
CID 87110714
N-tert-butyl-6-chloro-3-[[3-fluoro-2-[[(2S)-oxan-2-yl]oxymethyl]phenyl]methyl]-2-methylimidazo[1,2-b]pyridazin-8-amine
CID 121426203
N-tert-butyl-6-chloro-3-[[3-fluoro-2-(oxan-2-yloxymethyl)phenyl]methyl]-2-methylimidazo[1,2-b]pyridazin-8-amine
CID 132271618
[3-Methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl] thiohypofluorite
CID 144197057
[2-Hydrazinyl-7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
CID 144197096

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3-fluoro-3-methylbutyl)imidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3-fluoro-3-methylbutyl)imidazo[1,2-b]pyridazin-8-amine (CID 123684949) is 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3-fluoro-3-methylbutyl)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-fluoro-3-methylbutyl)imidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3-fluoro-3-methylbutyl)imidazo[1,2-b]pyridazin-8-amine is CC(C)(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-fluoro-3-methylbutyl)imidazo[1,2-b]pyridazin-8-amine?
The InChIKey is JPUXLWMTMXDKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN4O2/c1-20(2,22)7-8-23-15-11-17(21)25-26-16(12-24-18(15)26)13-3-5-14(6-4-13)19-27-9-10-28-19/h3-6,11-12,19,23H,7-10H2,1-2H3.
What are the key properties of 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3-fluoro-3-methylbutyl)imidazo[1,2-b]pyridazin-8-amine?
6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3-fluoro-3-methylbutyl)imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 404.87 g/mol, XLogP of 4.65, 6 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-fluoro-3-methylbutyl)imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 123684949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).