N-[3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]cyclopropanecarboxamide

C22H20N4O3 — CID 90358581

IUPACN-[3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]cyclopropanecarboxamide
SMILESO=C(NC1CC(Oc2ccc3ncc(-c4cc5ccccc5o4)n3n2)C1)C1CC1
InChIInChI=1S/C22H20N4O3/c27-22(13-5-6-13)24-15-10-16(11-15)28-21-8-7-20-23-12-17(26(20)25-21)19-9-14-3-1-2-4-18(14)29-19/h1-4,7-9,12-13,15-16H,5-6,10-11H2,(H,24,27)
InChIKeyDAXVENUFSZAQNA-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.58
Rot. Bonds5

About N-[3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]cyclopropanecarboxamide

N-[3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]cyclopropanecarboxamide (PubChem CID 90358581) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]cyclopropanecarboxamide
PubChem CID90358581
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC NameN-[3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]cyclopropanecarboxamide
SMILESO=C(NC1CC(Oc2ccc3ncc(-c4cc5ccccc5o4)n3n2)C1)C1CC1
InChIInChI=1S/C22H20N4O3/c27-22(13-5-6-13)24-15-10-16(11-15)28-21-8-7-20-23-12-17(26(20)25-21)19-9-14-3-1-2-4-18(14)29-19/h1-4,7-9,12-13,15-16H,5-6,10-11H2,(H,24,27)
InChIKeyDAXVENUFSZAQNA-UHFFFAOYSA-N
XLogP3.58
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-benzofuran-2-yl)-6-[(3R)-pyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazine
CID 71744577
2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclohexan-1-amine
CID 78091697
3-(1-benzofuran-2-yl)-6-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[1,2-b]pyridazine
CID 71744510
(5R)-5-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one
CID 78322620
3-[3-(5-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine
CID 71509431
1-[(2S)-2-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]propan-1-one
CID 90368898
[3-[3-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]carbamic acid
CID 90358255
3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-amine
CID 90317489
N-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-2-(oxan-4-yl)acetamide
CID 130368837
N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]propan-1-amine
CID 71077181
1-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]cyclobutan-1-amine
CID 71295127
6-[3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropyl]piperidin-2-one
CID 144686366

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]cyclopropanecarboxamide (CID 90358581) is N-[3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]cyclopropanecarboxamide is O=C(NC1CC(Oc2ccc3ncc(-c4cc5ccccc5o4)n3n2)C1)C1CC1.
What is the InChIKey of N-[3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]cyclopropanecarboxamide?
The InChIKey is DAXVENUFSZAQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c27-22(13-5-6-13)24-15-10-16(11-15)28-21-8-7-20-23-12-17(26(20)25-21)19-9-14-3-1-2-4-18(14)29-19/h1-4,7-9,12-13,15-16H,5-6,10-11H2,(H,24,27).
What are the key properties of N-[3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]cyclopropanecarboxamide?
N-[3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]cyclopropanecarboxamide has a molecular weight of 388.43 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]cyclopropanecarboxamide is sourced from PubChem (CID 90358581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).