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

C23H22N4O — CID 70817808

IUPAC1-[4-(6-methoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine
SMILESCOc1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2n1
InChIInChI=1S/C23H22N4O/c1-28-20-13-12-19-25-21(22(27(19)26-20)17-6-3-2-4-7-17)16-8-10-18(11-9-16)23(24)14-5-15-23/h2-4,6-13H,5,14-15,24H2,1H3
InChIKeyQMQUPRKOOFZYNJ-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.41
Rot. Bonds4

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

1-[4-(6-methoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine (PubChem CID 70817808) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-[4-(6-methoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[4-(6-methoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine
PubChem CID70817808
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name1-[4-(6-methoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine
SMILESCOc1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2n1
InChIInChI=1S/C23H22N4O/c1-28-20-13-12-19-25-21(22(27(19)26-20)17-6-3-2-4-7-17)16-8-10-18(11-9-16)23(24)14-5-15-23/h2-4,6-13H,5,14-15,24H2,1H3
InChIKeyQMQUPRKOOFZYNJ-UHFFFAOYSA-N
XLogP4.41
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[4-(6-methoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine (CID 70817808) is 1-[4-(6-methoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[4-(6-methoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[4-(6-methoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine is COc1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2n1.
What is the InChIKey of 1-[4-(6-methoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine?
The InChIKey is QMQUPRKOOFZYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-28-20-13-12-19-25-21(22(27(19)26-20)17-6-3-2-4-7-17)16-8-10-18(11-9-16)23(24)14-5-15-23/h2-4,6-13H,5,14-15,24H2,1H3.
What are the key properties of 1-[4-(6-methoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine?
1-[4-(6-methoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine has a molecular weight of 370.46 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-methoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 70817808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).