(3-methylimidazol-4-yl)-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone

C20H21N5O2 — CID 154583531

IUPAC(3-methylimidazol-4-yl)-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone
SMILESCn1cncc1C(=O)N1CCC(COc2ccc(-c3ccccc3)nn2)C1
InChIInChI=1S/C20H21N5O2/c1-24-14-21-11-18(24)20(26)25-10-9-15(12-25)13-27-19-8-7-17(22-23-19)16-5-3-2-4-6-16/h2-8,11,14-15H,9-10,12-13H2,1H3
InChIKeyDERBUJYXRJOLFV-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.42
Rot. Bonds5

About (3-methylimidazol-4-yl)-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone

(3-methylimidazol-4-yl)-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone (PubChem CID 154583531) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is (3-methylimidazol-4-yl)-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methylimidazol-4-yl)-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone
PubChem CID154583531
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name(3-methylimidazol-4-yl)-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone
SMILESCn1cncc1C(=O)N1CCC(COc2ccc(-c3ccccc3)nn2)C1
InChIInChI=1S/C20H21N5O2/c1-24-14-21-11-18(24)20(26)25-10-9-15(12-25)13-27-19-8-7-17(22-23-19)16-5-3-2-4-6-16/h2-8,11,14-15H,9-10,12-13H2,1H3
InChIKeyDERBUJYXRJOLFV-UHFFFAOYSA-N
XLogP2.42
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-1-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]propan-1-one
CID 154581315
[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 154581477
[3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 154576110
[3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone
CID 154576429
[(3R)-3-aminopyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103511639
[3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 154576135
4-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]sulfonylmorpholine
CID 154581394
methyl 1-(3-methylimidazole-4-carbonyl)pyrrolidine-3-carboxylate
CID 103511730
[3-(aminomethyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103510238
(5-hydroxy-3-pyridinyl)-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone
CID 163358245
[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 172882577
1-(3-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid
CID 103510374

Frequently Asked Questions

What is the IUPAC name of (3-methylimidazol-4-yl)-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (3-methylimidazol-4-yl)-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone (CID 154583531) is (3-methylimidazol-4-yl)-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-methylimidazol-4-yl)-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-methylimidazol-4-yl)-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone is Cn1cncc1C(=O)N1CCC(COc2ccc(-c3ccccc3)nn2)C1.
What is the InChIKey of (3-methylimidazol-4-yl)-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone?
The InChIKey is DERBUJYXRJOLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-24-14-21-11-18(24)20(26)25-10-9-15(12-25)13-27-19-8-7-17(22-23-19)16-5-3-2-4-6-16/h2-8,11,14-15H,9-10,12-13H2,1H3.
What are the key properties of (3-methylimidazol-4-yl)-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone?
(3-methylimidazol-4-yl)-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone has a molecular weight of 363.42 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylimidazol-4-yl)-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 154583531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).