(5-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone

C18H17N3O4 — CID 100624023

IUPAC(5-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
SMILESCOc1ccc2oc(C(=O)N3CC[C@H](Oc4cccnn4)C3)cc2c1
InChIInChI=1S/C18H17N3O4/c1-23-13-4-5-15-12(9-13)10-16(25-15)18(22)21-8-6-14(11-21)24-17-3-2-7-19-20-17/h2-5,7,9-10,14H,6,8,11H2,1H3/t14-/m0/s1
InChIKeyPOSOEKMRHIEGNP-AWEZNQCLSA-N
MW339.35 g/mol
LogP2.52
Rot. Bonds4

About (5-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone

(5-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone (PubChem CID 100624023) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is (5-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
PubChem CID100624023
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name(5-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
SMILESCOc1ccc2oc(C(=O)N3CC[C@H](Oc4cccnn4)C3)cc2c1
InChIInChI=1S/C18H17N3O4/c1-23-13-4-5-15-12(9-13)10-16(25-15)18(22)21-8-6-14(11-21)24-17-3-2-7-19-20-17/h2-5,7,9-10,14H,6,8,11H2,1H3/t14-/m0/s1
InChIKeyPOSOEKMRHIEGNP-AWEZNQCLSA-N
XLogP2.52
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-methoxy-1-benzofuran-2-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257503
2-(3-methoxyphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638339
(5-methyl-1-benzofuran-2-yl)-(3-phenoxypyrrolidin-1-yl)methanone
CID 119061394
1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638196
(2,5-dimethylfuran-3-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
CID 100638902
(2,5-dimethylfuran-3-yl)-(3-pyridazin-3-yloxypiperidin-1-yl)methanone
CID 91627673
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100621693
(E)-3-(3,4-dimethoxyphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)prop-2-en-1-one
CID 90638274
tert-butyl (3R)-3-pyridazin-3-yloxypyrrolidine-1-carboxylate
CID 129411647
(4-butoxyphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638234
1H-indol-2-yl-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100620291
(2-methyl-1,3-thiazol-4-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100620419

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone?
The IUPAC name of (5-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone (CID 100624023) is (5-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone?
The canonical SMILES for (5-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone is COc1ccc2oc(C(=O)N3CC[C@H](Oc4cccnn4)C3)cc2c1.
What is the InChIKey of (5-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone?
The InChIKey is POSOEKMRHIEGNP-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-23-13-4-5-15-12(9-13)10-16(25-15)18(22)21-8-6-14(11-21)24-17-3-2-7-19-20-17/h2-5,7,9-10,14H,6,8,11H2,1H3/t14-/m0/s1.
What are the key properties of (5-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone?
(5-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone has a molecular weight of 339.35 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 100624023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).