3-(1H-indol-3-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one

C19H20N4O2 — CID 124952727

IUPAC3-(1H-indol-3-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one
SMILESO=C(CCc1c[nH]c2ccccc12)N1CCO[C@@H](c2cnccn2)C1
InChIInChI=1S/C19H20N4O2/c24-19(6-5-14-11-22-16-4-2-1-3-15(14)16)23-9-10-25-18(13-23)17-12-20-7-8-21-17/h1-4,7-8,11-12,18,22H,5-6,9-10,13H2/t18-/m1/s1
InChIKeyDQOAMZNXAROSMQ-GOSISDBHSA-N
MW336.39 g/mol
LogP2.49
Rot. Bonds4

About 3-(1H-indol-3-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one

3-(1H-indol-3-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one (PubChem CID 124952727) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one
PubChem CID124952727
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name3-(1H-indol-3-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one
SMILESO=C(CCc1c[nH]c2ccccc12)N1CCO[C@@H](c2cnccn2)C1
InChIInChI=1S/C19H20N4O2/c24-19(6-5-14-11-22-16-4-2-1-3-15(14)16)23-9-10-25-18(13-23)17-12-20-7-8-21-17/h1-4,7-8,11-12,18,22H,5-6,9-10,13H2/t18-/m1/s1
InChIKeyDQOAMZNXAROSMQ-GOSISDBHSA-N
XLogP2.49
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-indol-3-yl)-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one
CID 155983427
1-[2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one
CID 127250571
1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one
CID 124993546
1-[(2R)-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one
CID 129457839
3-(1H-indol-3-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one
CID 155899693
3-(1H-indol-3-yl)-1-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one
CID 110102712
3-(1H-indol-3-yl)-1-[(2R)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 124973725
3-(1H-indol-3-yl)-1-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 129457912
1-(2-pyrazin-2-ylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one
CID 127246248
4-(1H-indol-3-yl)-1-[(2S)-2-phenylmorpholin-4-yl]butan-1-one
CID 35257736
4-[3-(1H-indol-3-yl)propanoyl]morpholine-2-carbonitrile
CID 78945471
1-(2-pyrazin-2-ylmorpholin-4-yl)-3-thiophen-2-ylpropan-1-one
CID 127246266

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one?
The IUPAC name of 3-(1H-indol-3-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one (CID 124952727) is 3-(1H-indol-3-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(1H-indol-3-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(1H-indol-3-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one is O=C(CCc1c[nH]c2ccccc12)N1CCO[C@@H](c2cnccn2)C1.
What is the InChIKey of 3-(1H-indol-3-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one?
The InChIKey is DQOAMZNXAROSMQ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-19(6-5-14-11-22-16-4-2-1-3-15(14)16)23-9-10-25-18(13-23)17-12-20-7-8-21-17/h1-4,7-8,11-12,18,22H,5-6,9-10,13H2/t18-/m1/s1.
What are the key properties of 3-(1H-indol-3-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one?
3-(1H-indol-3-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one has a molecular weight of 336.39 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one is sourced from PubChem (CID 124952727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).