1-[4-(6-ethyl-8-methoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine

C25H26N4O — CID 70817988

IUPAC1-[4-(6-ethyl-8-methoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine
SMILESCCc1cc(OC)c2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2n1
InChIInChI=1S/C25H26N4O/c1-3-20-16-21(30-2)24-27-22(23(29(24)28-20)18-8-5-4-6-9-18)17-10-12-19(13-11-17)25(26)14-7-15-25/h4-6,8-13,16H,3,7,14-15,26H2,1-2H3
InChIKeyUQODQLPAIMYEHO-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.97
Rot. Bonds5

About 1-[4-(6-ethyl-8-methoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine

1-[4-(6-ethyl-8-methoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine (PubChem CID 70817988) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-[4-(6-ethyl-8-methoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[4-(6-ethyl-8-methoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine
PubChem CID70817988
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name1-[4-(6-ethyl-8-methoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine
SMILESCCc1cc(OC)c2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2n1
InChIInChI=1S/C25H26N4O/c1-3-20-16-21(30-2)24-27-22(23(29(24)28-20)18-8-5-4-6-9-18)17-10-12-19(13-11-17)25(26)14-7-15-25/h4-6,8-13,16H,3,7,14-15,26H2,1-2H3
InChIKeyUQODQLPAIMYEHO-UHFFFAOYSA-N
XLogP4.97
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-ethyl-8-methoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[4-(6-ethyl-8-methoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine (CID 70817988) is 1-[4-(6-ethyl-8-methoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[4-(6-ethyl-8-methoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[4-(6-ethyl-8-methoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine is CCc1cc(OC)c2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2n1.
What is the InChIKey of 1-[4-(6-ethyl-8-methoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine?
The InChIKey is UQODQLPAIMYEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-3-20-16-21(30-2)24-27-22(23(29(24)28-20)18-8-5-4-6-9-18)17-10-12-19(13-11-17)25(26)14-7-15-25/h4-6,8-13,16H,3,7,14-15,26H2,1-2H3.
What are the key properties of 1-[4-(6-ethyl-8-methoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine?
1-[4-(6-ethyl-8-methoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine has a molecular weight of 398.51 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-ethyl-8-methoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 70817988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).