1-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-2-(triazol-1-yl)ethanone

C17H22N6O2 — CID 129329728

IUPAC1-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-2-(triazol-1-yl)ethanone
SMILESO=C(Cn1ccnn1)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1
InChIInChI=1S/C17H22N6O2/c24-16(13-23-11-7-19-20-23)22-10-5-14(12-22)25-15-4-3-6-18-17(15)21-8-1-2-9-21/h3-4,6-7,11,14H,1-2,5,8-10,12-13H2/t14-/m1/s1
InChIKeyGJGFFJATYFMDSO-CQSZACIVSA-N
MW342.40 g/mol
LogP0.95
Rot. Bonds5

About 1-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-2-(triazol-1-yl)ethanone

1-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-2-(triazol-1-yl)ethanone (PubChem CID 129329728) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-2-(triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-2-(triazol-1-yl)ethanone
PubChem CID129329728
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name1-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-2-(triazol-1-yl)ethanone
SMILESO=C(Cn1ccnn1)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1
InChIInChI=1S/C17H22N6O2/c24-16(13-23-11-7-19-20-23)22-10-5-14(12-22)25-15-4-3-6-18-17(15)21-8-1-2-9-21/h3-4,6-7,11,14H,1-2,5,8-10,12-13H2/t14-/m1/s1
InChIKeyGJGFFJATYFMDSO-CQSZACIVSA-N
XLogP0.95
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-oxo-2-[3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethyl]-1,3-thiazolidin-4-one
CID 129006642
2-ethylsulfonyl-1-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone
CID 129476531
2-(furan-3-yl)-1-[3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone
CID 129006594
2-(6-methyl-3-pyridinyl)-1-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone
CID 129475234
(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]-N-(2-pyrrol-1-ylethyl)pyrrolidine-1-carboxamide
CID 129478495
2-chloro-1-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one
CID 146095016
2-(2-methyl-1,3-thiazol-4-yl)-1-[3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone
CID 128973759
[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 129476098
(1-cyclopropylpyrrol-2-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129329582
pyrazin-2-yl-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129472960
(3-aminopyrazin-2-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129475897
(3R)-N-(1-methylpiperidin-4-yl)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carboxamide
CID 129472588

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-2-(triazol-1-yl)ethanone?
The IUPAC name of 1-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-2-(triazol-1-yl)ethanone (CID 129329728) is 1-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-2-(triazol-1-yl)ethanone.
What is the SMILES notation for 1-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-2-(triazol-1-yl)ethanone?
The canonical SMILES for 1-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-2-(triazol-1-yl)ethanone is O=C(Cn1ccnn1)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1.
What is the InChIKey of 1-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-2-(triazol-1-yl)ethanone?
The InChIKey is GJGFFJATYFMDSO-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N6O2/c24-16(13-23-11-7-19-20-23)22-10-5-14(12-22)25-15-4-3-6-18-17(15)21-8-1-2-9-21/h3-4,6-7,11,14H,1-2,5,8-10,12-13H2/t14-/m1/s1.
What are the key properties of 1-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-2-(triazol-1-yl)ethanone?
1-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-2-(triazol-1-yl)ethanone has a molecular weight of 342.40 g/mol, XLogP of 0.95, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-2-(triazol-1-yl)ethanone is sourced from PubChem (CID 129329728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).