[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methanone

C23H26FN5O2 — CID 142732183

IUPAC[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methanone
SMILESCC(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCC4(CC3)CNCO4)nc12
InChIInChI=1S/C23H26FN5O2/c1-15(2)18-11-19(16-3-5-17(24)6-4-16)27-29-12-20(26-21(18)29)22(30)28-9-7-23(8-10-28)13-25-14-31-23/h3-6,11-12,15,25H,7-10,13-14H2,1-2H3
InChIKeyMGVQOOKXHWIWIY-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.21
Rot. Bonds3

About [6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methanone

[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methanone (PubChem CID 142732183) has the molecular formula C23H26FN5O2 and a molecular weight of 423.49 g/mol. Its IUPAC name is [6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methanone
PubChem CID142732183
Molecular FormulaC23H26FN5O2
Molecular Weight423.49 g/mol
Exact Mass423.21
IUPAC Name[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methanone
SMILESCC(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCC4(CC3)CNCO4)nc12
InChIInChI=1S/C23H26FN5O2/c1-15(2)18-11-19(16-3-5-17(24)6-4-16)27-29-12-20(26-21(18)29)22(30)28-9-7-23(8-10-28)13-25-14-31-23/h3-6,11-12,15,25H,7-10,13-14H2,1-2H3
InChIKeyMGVQOOKXHWIWIY-UHFFFAOYSA-N
XLogP3.21
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of [6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methanone (CID 142732183) is [6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for [6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for [6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methanone is CC(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCC4(CC3)CNCO4)nc12.
What is the InChIKey of [6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methanone?
The InChIKey is MGVQOOKXHWIWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2/c1-15(2)18-11-19(16-3-5-17(24)6-4-16)27-29-12-20(26-21(18)29)22(30)28-9-7-23(8-10-28)13-25-14-31-23/h3-6,11-12,15,25H,7-10,13-14H2,1-2H3.
What are the key properties of [6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methanone?
[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methanone has a molecular weight of 423.49 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 142732183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).