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

C24H20N4O3 — CID 90368822

IUPACN-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1
InChIInChI=1S/C24H20N4O3/c1-16-6-2-4-8-18(16)24(29)25-12-13-30-23-11-10-22-26-15-19(28(22)27-23)21-14-17-7-3-5-9-20(17)31-21/h2-11,14-15H,12-13H2,1H3,(H,25,29)
InChIKeyPFBCQRSXSICZPQ-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.26
Rot. Bonds6

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

N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]-2-methylbenzamide (PubChem CID 90368822) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]-2-methylbenzamide
PubChem CID90368822
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC NameN-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1
InChIInChI=1S/C24H20N4O3/c1-16-6-2-4-8-18(16)24(29)25-12-13-30-23-11-10-22-26-15-19(28(22)27-23)21-14-17-7-3-5-9-20(17)31-21/h2-11,14-15H,12-13H2,1H3,(H,25,29)
InChIKeyPFBCQRSXSICZPQ-UHFFFAOYSA-N
XLogP4.26
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]propan-1-amine
CID 71077181
(2S)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-amine
CID 129171531
[2-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone
CID 78321691
2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(ethylamino)ethanol
CID 71077227
1-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]cyclobutan-1-amine
CID 71295127
3-(1-benzofuran-2-yl)-6-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[1,2-b]pyridazine
CID 71744510
1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyhexan-2-amine
CID 71468696
(5R)-5-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one
CID 78322620
6-[3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropyl]piperidin-2-one
CID 144686366
N-[(2R)-2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-pyridin-3-ylethyl]acetamide
CID 78322307
3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-amine
CID 90317489
[(2S)-2-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 122585653

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]-2-methylbenzamide?
The IUPAC name of N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]-2-methylbenzamide (CID 90368822) is N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1.
What is the InChIKey of N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]-2-methylbenzamide?
The InChIKey is PFBCQRSXSICZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-16-6-2-4-8-18(16)24(29)25-12-13-30-23-11-10-22-26-15-19(28(22)27-23)21-14-17-7-3-5-9-20(17)31-21/h2-11,14-15H,12-13H2,1H3,(H,25,29).
What are the key properties of N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]-2-methylbenzamide?
N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]-2-methylbenzamide has a molecular weight of 412.45 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]-2-methylbenzamide is sourced from PubChem (CID 90368822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).