[1-[4-[8-methoxy-6-(methylcarbamoyl)-3-phenylimidazo[1,2-b]pyridazin-2-yl]phenyl]cyclobutyl] carbamate

C26H25N5O4 — CID 118590756

IUPAC[1-[4-[8-methoxy-6-(methylcarbamoyl)-3-phenylimidazo[1,2-b]pyridazin-2-yl]phenyl]cyclobutyl] carbamate
SMILESCNC(=O)c1cc(OC)c2nc(-c3ccc(C4(OC(N)=O)CCC4)cc3)c(-c3ccccc3)n2n1
InChIInChI=1S/C26H25N5O4/c1-28-24(32)19-15-20(34-2)23-29-21(22(31(23)30-19)17-7-4-3-5-8-17)16-9-11-18(12-10-16)26(13-6-14-26)35-25(27)33/h3-5,7-12,15H,6,13-14H2,1-2H3,(H2,27,33)(H,28,32)
InChIKeyYWFTYNYGLMYJPW-UHFFFAOYSA-N
MW471.52 g/mol
LogP3.91
Rot. Bonds6

About [1-[4-[8-methoxy-6-(methylcarbamoyl)-3-phenylimidazo[1,2-b]pyridazin-2-yl]phenyl]cyclobutyl] carbamate

[1-[4-[8-methoxy-6-(methylcarbamoyl)-3-phenylimidazo[1,2-b]pyridazin-2-yl]phenyl]cyclobutyl] carbamate (PubChem CID 118590756) has the molecular formula C26H25N5O4 and a molecular weight of 471.52 g/mol. Its IUPAC name is [1-[4-[8-methoxy-6-(methylcarbamoyl)-3-phenylimidazo[1,2-b]pyridazin-2-yl]phenyl]cyclobutyl] carbamate.

Molecular Properties

Compound Name[1-[4-[8-methoxy-6-(methylcarbamoyl)-3-phenylimidazo[1,2-b]pyridazin-2-yl]phenyl]cyclobutyl] carbamate
PubChem CID118590756
Molecular FormulaC26H25N5O4
Molecular Weight471.52 g/mol
Exact Mass471.19
IUPAC Name[1-[4-[8-methoxy-6-(methylcarbamoyl)-3-phenylimidazo[1,2-b]pyridazin-2-yl]phenyl]cyclobutyl] carbamate
SMILESCNC(=O)c1cc(OC)c2nc(-c3ccc(C4(OC(N)=O)CCC4)cc3)c(-c3ccccc3)n2n1
InChIInChI=1S/C26H25N5O4/c1-28-24(32)19-15-20(34-2)23-29-21(22(31(23)30-19)17-7-4-3-5-8-17)16-9-11-18(12-10-16)26(13-6-14-26)35-25(27)33/h3-5,7-12,15H,6,13-14H2,1-2H3,(H2,27,33)(H,28,32)
InChIKeyYWFTYNYGLMYJPW-UHFFFAOYSA-N
XLogP3.91
TPSA120.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[4-[8-methoxy-6-(methylcarbamoyl)-3-phenylimidazo[1,2-b]pyridazin-2-yl]phenyl]cyclobutyl] carbamate?
The IUPAC name of [1-[4-[8-methoxy-6-(methylcarbamoyl)-3-phenylimidazo[1,2-b]pyridazin-2-yl]phenyl]cyclobutyl] carbamate (CID 118590756) is [1-[4-[8-methoxy-6-(methylcarbamoyl)-3-phenylimidazo[1,2-b]pyridazin-2-yl]phenyl]cyclobutyl] carbamate.
What is the SMILES notation for [1-[4-[8-methoxy-6-(methylcarbamoyl)-3-phenylimidazo[1,2-b]pyridazin-2-yl]phenyl]cyclobutyl] carbamate?
The canonical SMILES for [1-[4-[8-methoxy-6-(methylcarbamoyl)-3-phenylimidazo[1,2-b]pyridazin-2-yl]phenyl]cyclobutyl] carbamate is CNC(=O)c1cc(OC)c2nc(-c3ccc(C4(OC(N)=O)CCC4)cc3)c(-c3ccccc3)n2n1.
What is the InChIKey of [1-[4-[8-methoxy-6-(methylcarbamoyl)-3-phenylimidazo[1,2-b]pyridazin-2-yl]phenyl]cyclobutyl] carbamate?
The InChIKey is YWFTYNYGLMYJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O4/c1-28-24(32)19-15-20(34-2)23-29-21(22(31(23)30-19)17-7-4-3-5-8-17)16-9-11-18(12-10-16)26(13-6-14-26)35-25(27)33/h3-5,7-12,15H,6,13-14H2,1-2H3,(H2,27,33)(H,28,32).
What are the key properties of [1-[4-[8-methoxy-6-(methylcarbamoyl)-3-phenylimidazo[1,2-b]pyridazin-2-yl]phenyl]cyclobutyl] carbamate?
[1-[4-[8-methoxy-6-(methylcarbamoyl)-3-phenylimidazo[1,2-b]pyridazin-2-yl]phenyl]cyclobutyl] carbamate has a molecular weight of 471.52 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[8-methoxy-6-(methylcarbamoyl)-3-phenylimidazo[1,2-b]pyridazin-2-yl]phenyl]cyclobutyl] carbamate is sourced from PubChem (CID 118590756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).