3-(2,3-dihydroindol-1-yl)-1-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]propan-1-one

C19H22N4O — CID 124960482

IUPAC3-(2,3-dihydroindol-1-yl)-1-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]propan-1-one
SMILESO=C(CCN1CCc2ccccc21)N1CCC[C@H]1c1cnccn1
InChIInChI=1S/C19H22N4O/c24-19(8-13-22-12-7-15-4-1-2-5-17(15)22)23-11-3-6-18(23)16-14-20-9-10-21-16/h1-2,4-5,9-10,14,18H,3,6-8,11-13H2/t18-/m0/s1
InChIKeyGUXKACZCUCBLFM-SFHVURJKSA-N
MW322.41 g/mol
LogP2.59
Rot. Bonds4

About 3-(2,3-dihydroindol-1-yl)-1-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]propan-1-one

3-(2,3-dihydroindol-1-yl)-1-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]propan-1-one (PubChem CID 124960482) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-1-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-1-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]propan-1-one
PubChem CID124960482
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name3-(2,3-dihydroindol-1-yl)-1-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]propan-1-one
SMILESO=C(CCN1CCc2ccccc21)N1CCC[C@H]1c1cnccn1
InChIInChI=1S/C19H22N4O/c24-19(8-13-22-12-7-15-4-1-2-5-17(15)22)23-11-3-6-18(23)16-14-20-9-10-21-16/h1-2,4-5,9-10,14,18H,3,6-8,11-13H2/t18-/m0/s1
InChIKeyGUXKACZCUCBLFM-SFHVURJKSA-N
XLogP2.59
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-dihydroindol-1-yl)-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 110106186
1-(2-pyrazin-2-ylpyrrolidin-1-yl)propan-1-one
CID 73439555
4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]butan-1-one
CID 124943315
2-[methyl(pyridin-3-ylmethyl)amino]-1-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]ethanone
CID 124977060
3-(2,3-dihydroindol-1-yl)-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]propan-1-one
CID 124968339
(E)-3-phenyl-1-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]prop-2-en-1-one
CID 125005357
pyrazin-2-yl-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone
CID 124992078
6-[1-[3-(2,3-dihydroindol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115141
1,3-bis(2,3-dihydroindol-1-yl)propan-1-one
CID 109034718
N-[2-[1-[3-(2,3-dihydroindol-1-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 110247073
1-(2-pyrazin-2-ylpiperidin-1-yl)ethanone
CID 73438981
3-(2,3-dihydroindol-1-yl)-1-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 92621815

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-1-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-1-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]propan-1-one (CID 124960482) is 3-(2,3-dihydroindol-1-yl)-1-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-1-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-1-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]propan-1-one is O=C(CCN1CCc2ccccc21)N1CCC[C@H]1c1cnccn1.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-1-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]propan-1-one?
The InChIKey is GUXKACZCUCBLFM-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22N4O/c24-19(8-13-22-12-7-15-4-1-2-5-17(15)22)23-11-3-6-18(23)16-14-20-9-10-21-16/h1-2,4-5,9-10,14,18H,3,6-8,11-13H2/t18-/m0/s1.
What are the key properties of 3-(2,3-dihydroindol-1-yl)-1-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]propan-1-one?
3-(2,3-dihydroindol-1-yl)-1-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]propan-1-one has a molecular weight of 322.41 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)-1-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 124960482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).