1-benzofuran-2-yl-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone

C19H19N3O3 — CID 154576332

IUPAC1-benzofuran-2-yl-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone
SMILESCc1ccc(OCC2CCN(C(=O)c3cc4ccccc4o3)C2)nn1
InChIInChI=1S/C19H19N3O3/c1-13-6-7-18(21-20-13)24-12-14-8-9-22(11-14)19(23)17-10-15-4-2-3-5-16(15)25-17/h2-7,10,14H,8-9,11-12H2,1H3
InChIKeyCBYHKXNAKLQYCR-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.07
Rot. Bonds4

About 1-benzofuran-2-yl-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone

1-benzofuran-2-yl-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone (PubChem CID 154576332) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone
PubChem CID154576332
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name1-benzofuran-2-yl-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone
SMILESCc1ccc(OCC2CCN(C(=O)c3cc4ccccc4o3)C2)nn1
InChIInChI=1S/C19H19N3O3/c1-13-6-7-18(21-20-13)24-12-14-8-9-22(11-14)19(23)17-10-15-4-2-3-5-16(15)25-17/h2-7,10,14H,8-9,11-12H2,1H3
InChIKeyCBYHKXNAKLQYCR-UHFFFAOYSA-N
XLogP3.07
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone
CID 62063378
1-benzofuran-2-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263992
(5-hydroxy-3-pyridinyl)-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone
CID 163358245
(3-aminopyrrolidin-1-yl)-(1-benzofuran-2-yl)methanone;hydrochloride
CID 119482537
1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248546
2-[3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]chromen-4-one
CID 90638745
1-benzofuran-2-yl-[4-(chloromethyl)piperidin-1-yl]methanone
CID 55188193
1-benzofuran-2-yl-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122257854
(3-aminoazetidin-1-yl)-(1-benzofuran-2-yl)methanone
CID 63755277
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]ethanone
CID 154576140
1-benzofuran-2-yl-(4-chloro-3-methylpiperidin-1-yl)methanone
CID 114683163
methyl (3S)-1-(1-benzofuran-2-carbonyl)piperidine-3-carboxylate
CID 78919420

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone (CID 154576332) is 1-benzofuran-2-yl-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone is Cc1ccc(OCC2CCN(C(=O)c3cc4ccccc4o3)C2)nn1.
What is the InChIKey of 1-benzofuran-2-yl-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone?
The InChIKey is CBYHKXNAKLQYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-13-6-7-18(21-20-13)24-12-14-8-9-22(11-14)19(23)17-10-15-4-2-3-5-16(15)25-17/h2-7,10,14H,8-9,11-12H2,1H3.
What are the key properties of 1-benzofuran-2-yl-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone?
1-benzofuran-2-yl-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone has a molecular weight of 337.38 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 154576332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).