3-(1-benzofuran-2-yl)-5H-imidazo[1,2-b]pyridazin-6-one;cyclobutyl-[(2R)-2-ethylpyrrolidin-1-yl]methanone

C25H28N4O3 — CID 144686326

IUPAC3-(1-benzofuran-2-yl)-5H-imidazo[1,2-b]pyridazin-6-one;cyclobutyl-[(2R)-2-ethylpyrrolidin-1-yl]methanone
SMILESCC[C@@H]1CCCN1C(=O)C1CCC1.O=c1ccc2ncc(-c3cc4ccccc4o3)n2[nH]1
InChIInChI=1S/C14H9N3O2.C11H19NO/c18-14-6-5-13-15-8-10(17(13)16-14)12-7-9-3-1-2-4-11(9)19-12;1-2-10-7-4-8-12(10)11(13)9-5-3-6-9/h1-8H,(H,16,18);9-10H,2-8H2,1H3/t;10-/m.1/s1
InChIKeyFIVJVCBLVCBZSW-RLGBJRSSSA-N
MW432.52 g/mol
LogP4.62
Rot. Bonds3

About 3-(1-benzofuran-2-yl)-5H-imidazo[1,2-b]pyridazin-6-one;cyclobutyl-[(2R)-2-ethylpyrrolidin-1-yl]methanone

3-(1-benzofuran-2-yl)-5H-imidazo[1,2-b]pyridazin-6-one;cyclobutyl-[(2R)-2-ethylpyrrolidin-1-yl]methanone (PubChem CID 144686326) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-5H-imidazo[1,2-b]pyridazin-6-one;cyclobutyl-[(2R)-2-ethylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-5H-imidazo[1,2-b]pyridazin-6-one;cyclobutyl-[(2R)-2-ethylpyrrolidin-1-yl]methanone
PubChem CID144686326
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name3-(1-benzofuran-2-yl)-5H-imidazo[1,2-b]pyridazin-6-one;cyclobutyl-[(2R)-2-ethylpyrrolidin-1-yl]methanone
SMILESCC[C@@H]1CCCN1C(=O)C1CCC1.O=c1ccc2ncc(-c3cc4ccccc4o3)n2[nH]1
InChIInChI=1S/C14H9N3O2.C11H19NO/c18-14-6-5-13-15-8-10(17(13)16-14)12-7-9-3-1-2-4-11(9)19-12;1-2-10-7-4-8-12(10)11(13)9-5-3-6-9/h1-8H,(H,16,18);9-10H,2-8H2,1H3/t;10-/m.1/s1
InChIKeyFIVJVCBLVCBZSW-RLGBJRSSSA-N
XLogP4.62
TPSA83.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Benzofuranyl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 54580415
Mnk1/2-IN-5
CID 71468412
3-[3-(4-Fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine
CID 71528850
Mnk1/2-IN-7
CID 155326246
N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-(2-furyl)-1-[4-(2-methoxyphenyl)-2-pyrimidinyl]-1H-pyrazole-4-carboxamide
CID 45167455
N-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-N',N'-dimethylethane-1,2-diamine
CID 58857589
3-(1-benzofuran-2-yl)-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 58857759
3-(1-benzofuran-2-yl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine
CID 58857771
{(2S)-1-[3-(1-Benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-2-yl}methanol
CID 71144743
1-[3-(1-Benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]azetidin-3-ol
CID 71144746
[(2R)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-2-yl]methanol
CID 71144852
{(3S)-1-[3-(1-Benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl}methanol
CID 71144923

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-5H-imidazo[1,2-b]pyridazin-6-one;cyclobutyl-[(2R)-2-ethylpyrrolidin-1-yl]methanone?
The IUPAC name of 3-(1-benzofuran-2-yl)-5H-imidazo[1,2-b]pyridazin-6-one;cyclobutyl-[(2R)-2-ethylpyrrolidin-1-yl]methanone (CID 144686326) is 3-(1-benzofuran-2-yl)-5H-imidazo[1,2-b]pyridazin-6-one;cyclobutyl-[(2R)-2-ethylpyrrolidin-1-yl]methanone.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-5H-imidazo[1,2-b]pyridazin-6-one;cyclobutyl-[(2R)-2-ethylpyrrolidin-1-yl]methanone?
The canonical SMILES for 3-(1-benzofuran-2-yl)-5H-imidazo[1,2-b]pyridazin-6-one;cyclobutyl-[(2R)-2-ethylpyrrolidin-1-yl]methanone is CC[C@@H]1CCCN1C(=O)C1CCC1.O=c1ccc2ncc(-c3cc4ccccc4o3)n2[nH]1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-5H-imidazo[1,2-b]pyridazin-6-one;cyclobutyl-[(2R)-2-ethylpyrrolidin-1-yl]methanone?
The InChIKey is FIVJVCBLVCBZSW-RLGBJRSSSA-N. The full InChI is InChI=1S/C14H9N3O2.C11H19NO/c18-14-6-5-13-15-8-10(17(13)16-14)12-7-9-3-1-2-4-11(9)19-12;1-2-10-7-4-8-12(10)11(13)9-5-3-6-9/h1-8H,(H,16,18);9-10H,2-8H2,1H3/t;10-/m.1/s1.
What are the key properties of 3-(1-benzofuran-2-yl)-5H-imidazo[1,2-b]pyridazin-6-one;cyclobutyl-[(2R)-2-ethylpyrrolidin-1-yl]methanone?
3-(1-benzofuran-2-yl)-5H-imidazo[1,2-b]pyridazin-6-one;cyclobutyl-[(2R)-2-ethylpyrrolidin-1-yl]methanone has a molecular weight of 432.52 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-5H-imidazo[1,2-b]pyridazin-6-one;cyclobutyl-[(2R)-2-ethylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 144686326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).