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

C24H24N4O2 — CID 70817816

IUPAC1-[4-(6,8-dimethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine
SMILESCOc1cc(OC)c2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2n1
InChIInChI=1S/C24H24N4O2/c1-29-19-15-20(30-2)27-28-22(17-7-4-3-5-8-17)21(26-23(19)28)16-9-11-18(12-10-16)24(25)13-6-14-24/h3-5,7-12,15H,6,13-14,25H2,1-2H3
InChIKeyUDOCSVQGGAZSQP-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.42
Rot. Bonds5

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

1-[4-(6,8-dimethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine (PubChem CID 70817816) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-[4-(6,8-dimethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[4-(6,8-dimethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine
PubChem CID70817816
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name1-[4-(6,8-dimethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine
SMILESCOc1cc(OC)c2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2n1
InChIInChI=1S/C24H24N4O2/c1-29-19-15-20(30-2)27-28-22(17-7-4-3-5-8-17)21(26-23(19)28)16-9-11-18(12-10-16)24(25)13-6-14-24/h3-5,7-12,15H,6,13-14,25H2,1-2H3
InChIKeyUDOCSVQGGAZSQP-UHFFFAOYSA-N
XLogP4.42
TPSA74.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,8-dimethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[4-(6,8-dimethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine (CID 70817816) is 1-[4-(6,8-dimethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[4-(6,8-dimethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[4-(6,8-dimethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine is COc1cc(OC)c2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2n1.
What is the InChIKey of 1-[4-(6,8-dimethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine?
The InChIKey is UDOCSVQGGAZSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-29-19-15-20(30-2)27-28-22(17-7-4-3-5-8-17)21(26-23(19)28)16-9-11-18(12-10-16)24(25)13-6-14-24/h3-5,7-12,15H,6,13-14,25H2,1-2H3.
What are the key properties of 1-[4-(6,8-dimethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine?
1-[4-(6,8-dimethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine has a molecular weight of 400.48 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6,8-dimethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 70817816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).