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

C26H28N4 — CID 70817882

IUPAC1-[4-(6,8-diethyl-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine
SMILESCCc1cc(CC)c2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2n1
InChIInChI=1S/C26H28N4/c1-3-18-17-22(4-2)29-30-24(20-9-6-5-7-10-20)23(28-25(18)30)19-11-13-21(14-12-19)26(27)15-8-16-26/h5-7,9-14,17H,3-4,8,15-16,27H2,1-2H3
InChIKeyYDHIPMITJBJKQC-UHFFFAOYSA-N
MW396.54 g/mol
LogP5.53
Rot. Bonds5

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

1-[4-(6,8-diethyl-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine (PubChem CID 70817882) has the molecular formula C26H28N4 and a molecular weight of 396.54 g/mol. Its IUPAC name is 1-[4-(6,8-diethyl-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[4-(6,8-diethyl-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine
PubChem CID70817882
Molecular FormulaC26H28N4
Molecular Weight396.54 g/mol
Exact Mass396.23
IUPAC Name1-[4-(6,8-diethyl-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine
SMILESCCc1cc(CC)c2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2n1
InChIInChI=1S/C26H28N4/c1-3-18-17-22(4-2)29-30-24(20-9-6-5-7-10-20)23(28-25(18)30)19-11-13-21(14-12-19)26(27)15-8-16-26/h5-7,9-14,17H,3-4,8,15-16,27H2,1-2H3
InChIKeyYDHIPMITJBJKQC-UHFFFAOYSA-N
XLogP5.53
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.54
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,8-diethyl-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[4-(6,8-diethyl-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine (CID 70817882) is 1-[4-(6,8-diethyl-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[4-(6,8-diethyl-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[4-(6,8-diethyl-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine is CCc1cc(CC)c2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2n1.
What is the InChIKey of 1-[4-(6,8-diethyl-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine?
The InChIKey is YDHIPMITJBJKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4/c1-3-18-17-22(4-2)29-30-24(20-9-6-5-7-10-20)23(28-25(18)30)19-11-13-21(14-12-19)26(27)15-8-16-26/h5-7,9-14,17H,3-4,8,15-16,27H2,1-2H3.
What are the key properties of 1-[4-(6,8-diethyl-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine?
1-[4-(6,8-diethyl-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine has a molecular weight of 396.54 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6,8-diethyl-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 70817882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).