[1-[2-(6,8-dimethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutyl]carbamic acid

C25H24N4O4 — CID 172752226

IUPAC[1-[2-(6,8-dimethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutyl]carbamic acid
SMILESCOc1cc(OC)c2nc(-c3ccccc3C3(NC(=O)O)CCC3)c(-c3ccccc3)n2n1
InChIInChI=1S/C25H24N4O4/c1-32-19-15-20(33-2)28-29-22(16-9-4-3-5-10-16)21(26-23(19)29)17-11-6-7-12-18(17)25(13-8-14-25)27-24(30)31/h3-7,9-12,15,27H,8,13-14H2,1-2H3,(H,30,31)
InChIKeyKNIRIWQKUHYIIC-UHFFFAOYSA-N
MW444.49 g/mol
LogP4.73
Rot. Bonds6

About [1-[2-(6,8-dimethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutyl]carbamic acid

[1-[2-(6,8-dimethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutyl]carbamic acid (PubChem CID 172752226) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is [1-[2-(6,8-dimethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutyl]carbamic acid.

Molecular Properties

Compound Name[1-[2-(6,8-dimethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutyl]carbamic acid
PubChem CID172752226
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC Name[1-[2-(6,8-dimethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutyl]carbamic acid
SMILESCOc1cc(OC)c2nc(-c3ccccc3C3(NC(=O)O)CCC3)c(-c3ccccc3)n2n1
InChIInChI=1S/C25H24N4O4/c1-32-19-15-20(33-2)28-29-22(16-9-4-3-5-10-16)21(26-23(19)29)17-11-6-7-12-18(17)25(13-8-14-25)27-24(30)31/h3-7,9-12,15,27H,8,13-14H2,1-2H3,(H,30,31)
InChIKeyKNIRIWQKUHYIIC-UHFFFAOYSA-N
XLogP4.73
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(6,8-dimethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutyl]carbamic acid?
The IUPAC name of [1-[2-(6,8-dimethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutyl]carbamic acid (CID 172752226) is [1-[2-(6,8-dimethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutyl]carbamic acid.
What is the SMILES notation for [1-[2-(6,8-dimethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutyl]carbamic acid?
The canonical SMILES for [1-[2-(6,8-dimethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutyl]carbamic acid is COc1cc(OC)c2nc(-c3ccccc3C3(NC(=O)O)CCC3)c(-c3ccccc3)n2n1.
What is the InChIKey of [1-[2-(6,8-dimethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutyl]carbamic acid?
The InChIKey is KNIRIWQKUHYIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c1-32-19-15-20(33-2)28-29-22(16-9-4-3-5-10-16)21(26-23(19)29)17-11-6-7-12-18(17)25(13-8-14-25)27-24(30)31/h3-7,9-12,15,27H,8,13-14H2,1-2H3,(H,30,31).
What are the key properties of [1-[2-(6,8-dimethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutyl]carbamic acid?
[1-[2-(6,8-dimethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutyl]carbamic acid has a molecular weight of 444.49 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(6,8-dimethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutyl]carbamic acid is sourced from PubChem (CID 172752226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).