2-indol-1-yl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethanone

C18H18N4O2 — CID 100620079

IUPAC2-indol-1-yl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethanone
SMILESO=C(Cn1ccc2ccccc21)N1CC[C@H](Oc2cccnn2)C1
InChIInChI=1S/C18H18N4O2/c23-18(13-21-10-7-14-4-1-2-5-16(14)21)22-11-8-15(12-22)24-17-6-3-9-19-20-17/h1-7,9-10,15H,8,11-13H2/t15-/m0/s1
InChIKeyKEEZFMNLJKRQND-HNNXBMFYSA-N
MW322.37 g/mol
LogP2.11
Rot. Bonds4

About 2-indol-1-yl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethanone

2-indol-1-yl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethanone (PubChem CID 100620079) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-indol-1-yl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-indol-1-yl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethanone
PubChem CID100620079
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-indol-1-yl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethanone
SMILESO=C(Cn1ccc2ccccc21)N1CC[C@H](Oc2cccnn2)C1
InChIInChI=1S/C18H18N4O2/c23-18(13-21-10-7-14-4-1-2-5-16(14)21)22-11-8-15(12-22)24-17-6-3-9-19-20-17/h1-7,9-10,15H,8,11-13H2/t15-/m0/s1
InChIKeyKEEZFMNLJKRQND-HNNXBMFYSA-N
XLogP2.11
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-indol-1-yl-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone
CID 124848062
2-(benzimidazol-1-yl)-1-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone
CID 100637947
2-[2-oxo-2-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one
CID 100622926
2-indol-1-yl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 122257179
4-chloro-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)butan-1-one
CID 90638218
1-[3-oxo-3-(3-pyridazin-3-yloxypyrrolidin-1-yl)propyl]pyrimidine-2,4-dione
CID 91627186
1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638196
2-(4-phenylphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638326
3-cyclopentyl-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one
CID 100620918
1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-indol-1-ylethanone
CID 122259233
(4-methylpiperazin-1-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100624368
(E)-3-phenyl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]prop-2-en-1-one
CID 100621078

Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethanone?
The IUPAC name of 2-indol-1-yl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethanone (CID 100620079) is 2-indol-1-yl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-indol-1-yl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-indol-1-yl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethanone is O=C(Cn1ccc2ccccc21)N1CC[C@H](Oc2cccnn2)C1.
What is the InChIKey of 2-indol-1-yl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethanone?
The InChIKey is KEEZFMNLJKRQND-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-18(13-21-10-7-14-4-1-2-5-16(14)21)22-11-8-15(12-22)24-17-6-3-9-19-20-17/h1-7,9-10,15H,8,11-13H2/t15-/m0/s1.
What are the key properties of 2-indol-1-yl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethanone?
2-indol-1-yl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethanone has a molecular weight of 322.37 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 100620079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).