3-N-(3-fluoro-5-morpholin-4-ylphenyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine

C18H21FN6O — CID 134808742

IUPAC3-N-(3-fluoro-5-morpholin-4-ylphenyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine
SMILESCN(C)c1ccc2ncc(Nc3cc(F)cc(N4CCOCC4)c3)n2n1
InChIInChI=1S/C18H21FN6O/c1-23(2)17-4-3-16-20-12-18(25(16)22-17)21-14-9-13(19)10-15(11-14)24-5-7-26-8-6-24/h3-4,9-12,21H,5-8H2,1-2H3
InChIKeyTZFNUODRPTXDMK-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.51
Rot. Bonds4

About 3-N-(3-fluoro-5-morpholin-4-ylphenyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine

3-N-(3-fluoro-5-morpholin-4-ylphenyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine (PubChem CID 134808742) has the molecular formula C18H21FN6O and a molecular weight of 356.41 g/mol. Its IUPAC name is 3-N-(3-fluoro-5-morpholin-4-ylphenyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine.

Molecular Properties

Compound Name3-N-(3-fluoro-5-morpholin-4-ylphenyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine
PubChem CID134808742
Molecular FormulaC18H21FN6O
Molecular Weight356.41 g/mol
Exact Mass356.18
IUPAC Name3-N-(3-fluoro-5-morpholin-4-ylphenyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine
SMILESCN(C)c1ccc2ncc(Nc3cc(F)cc(N4CCOCC4)c3)n2n1
InChIInChI=1S/C18H21FN6O/c1-23(2)17-4-3-16-20-12-18(25(16)22-17)21-14-9-13(19)10-15(11-14)24-5-7-26-8-6-24/h3-4,9-12,21H,5-8H2,1-2H3
InChIKeyTZFNUODRPTXDMK-UHFFFAOYSA-N
XLogP2.51
TPSA57.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-N-(3-fluoro-5-morpholin-4-ylphenyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine?
The IUPAC name of 3-N-(3-fluoro-5-morpholin-4-ylphenyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine (CID 134808742) is 3-N-(3-fluoro-5-morpholin-4-ylphenyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine.
What is the SMILES notation for 3-N-(3-fluoro-5-morpholin-4-ylphenyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine?
The canonical SMILES for 3-N-(3-fluoro-5-morpholin-4-ylphenyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine is CN(C)c1ccc2ncc(Nc3cc(F)cc(N4CCOCC4)c3)n2n1.
What is the InChIKey of 3-N-(3-fluoro-5-morpholin-4-ylphenyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine?
The InChIKey is TZFNUODRPTXDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN6O/c1-23(2)17-4-3-16-20-12-18(25(16)22-17)21-14-9-13(19)10-15(11-14)24-5-7-26-8-6-24/h3-4,9-12,21H,5-8H2,1-2H3.
What are the key properties of 3-N-(3-fluoro-5-morpholin-4-ylphenyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine?
3-N-(3-fluoro-5-morpholin-4-ylphenyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine has a molecular weight of 356.41 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-fluoro-5-morpholin-4-ylphenyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine is sourced from PubChem (CID 134808742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).