1-[4-(3-ethenyl-2-methyl-7-phenylimidazo[1,2-b]pyridazin-6-yl)phenyl]cyclobutan-1-amine

C25H24N4 — CID 56645598

IUPAC1-[4-(3-ethenyl-2-methyl-7-phenylimidazo[1,2-b]pyridazin-6-yl)phenyl]cyclobutan-1-amine
SMILESC=Cc1c(C)nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nn12
InChIInChI=1S/C25H24N4/c1-3-22-17(2)27-23-16-21(18-8-5-4-6-9-18)24(28-29(22)23)19-10-12-20(13-11-19)25(26)14-7-15-25/h3-6,8-13,16H,1,7,14-15,26H2,2H3
InChIKeyFQRWQABEDACKNJ-UHFFFAOYSA-N
MW380.50 g/mol
LogP5.35
Rot. Bonds4

About 1-[4-(3-ethenyl-2-methyl-7-phenylimidazo[1,2-b]pyridazin-6-yl)phenyl]cyclobutan-1-amine

1-[4-(3-ethenyl-2-methyl-7-phenylimidazo[1,2-b]pyridazin-6-yl)phenyl]cyclobutan-1-amine (PubChem CID 56645598) has the molecular formula C25H24N4 and a molecular weight of 380.50 g/mol. Its IUPAC name is 1-[4-(3-ethenyl-2-methyl-7-phenylimidazo[1,2-b]pyridazin-6-yl)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[4-(3-ethenyl-2-methyl-7-phenylimidazo[1,2-b]pyridazin-6-yl)phenyl]cyclobutan-1-amine
PubChem CID56645598
Molecular FormulaC25H24N4
Molecular Weight380.50 g/mol
Exact Mass380.20
IUPAC Name1-[4-(3-ethenyl-2-methyl-7-phenylimidazo[1,2-b]pyridazin-6-yl)phenyl]cyclobutan-1-amine
SMILESC=Cc1c(C)nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nn12
InChIInChI=1S/C25H24N4/c1-3-22-17(2)27-23-16-21(18-8-5-4-6-9-18)24(28-29(22)23)19-10-12-20(13-11-19)25(26)14-7-15-25/h3-6,8-13,16H,1,7,14-15,26H2,2H3
InChIKeyFQRWQABEDACKNJ-UHFFFAOYSA-N
XLogP5.35
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.50
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethenyl-2-methyl-7-phenylimidazo[1,2-b]pyridazin-6-yl)phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[4-(3-ethenyl-2-methyl-7-phenylimidazo[1,2-b]pyridazin-6-yl)phenyl]cyclobutan-1-amine (CID 56645598) is 1-[4-(3-ethenyl-2-methyl-7-phenylimidazo[1,2-b]pyridazin-6-yl)phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[4-(3-ethenyl-2-methyl-7-phenylimidazo[1,2-b]pyridazin-6-yl)phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[4-(3-ethenyl-2-methyl-7-phenylimidazo[1,2-b]pyridazin-6-yl)phenyl]cyclobutan-1-amine is C=Cc1c(C)nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nn12.
What is the InChIKey of 1-[4-(3-ethenyl-2-methyl-7-phenylimidazo[1,2-b]pyridazin-6-yl)phenyl]cyclobutan-1-amine?
The InChIKey is FQRWQABEDACKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4/c1-3-22-17(2)27-23-16-21(18-8-5-4-6-9-18)24(28-29(22)23)19-10-12-20(13-11-19)25(26)14-7-15-25/h3-6,8-13,16H,1,7,14-15,26H2,2H3.
What are the key properties of 1-[4-(3-ethenyl-2-methyl-7-phenylimidazo[1,2-b]pyridazin-6-yl)phenyl]cyclobutan-1-amine?
1-[4-(3-ethenyl-2-methyl-7-phenylimidazo[1,2-b]pyridazin-6-yl)phenyl]cyclobutan-1-amine has a molecular weight of 380.50 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethenyl-2-methyl-7-phenylimidazo[1,2-b]pyridazin-6-yl)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 56645598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).