2-(1-methylindol-3-yl)-1-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone

C20H21N3O — CID 94811631

IUPAC2-(1-methylindol-3-yl)-1-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone
SMILESCn1cc(CC(=O)N2CCC[C@H]2c2ccccn2)c2ccccc21
InChIInChI=1S/C20H21N3O/c1-22-14-15(16-7-2-3-9-18(16)22)13-20(24)23-12-6-10-19(23)17-8-4-5-11-21-17/h2-5,7-9,11,14,19H,6,10,12-13H2,1H3/t19-/m0/s1
InChIKeyGTODMTFHDMQNED-IBGZPJMESA-N
MW319.41 g/mol
LogP3.48
Rot. Bonds3

About 2-(1-methylindol-3-yl)-1-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone

2-(1-methylindol-3-yl)-1-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone (PubChem CID 94811631) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-1-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-1-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone
PubChem CID94811631
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2-(1-methylindol-3-yl)-1-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone
SMILESCn1cc(CC(=O)N2CCC[C@H]2c2ccccn2)c2ccccc21
InChIInChI=1S/C20H21N3O/c1-22-14-15(16-7-2-3-9-18(16)22)13-20(24)23-12-6-10-19(23)17-8-4-5-11-21-17/h2-5,7-9,11,14,19H,6,10,12-13H2,1H3/t19-/m0/s1
InChIKeyGTODMTFHDMQNED-IBGZPJMESA-N
XLogP3.48
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-1-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(1-methylindol-3-yl)-1-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone (CID 94811631) is 2-(1-methylindol-3-yl)-1-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(1-methylindol-3-yl)-1-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(1-methylindol-3-yl)-1-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone is Cn1cc(CC(=O)N2CCC[C@H]2c2ccccn2)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)-1-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone?
The InChIKey is GTODMTFHDMQNED-IBGZPJMESA-N. The full InChI is InChI=1S/C20H21N3O/c1-22-14-15(16-7-2-3-9-18(16)22)13-20(24)23-12-6-10-19(23)17-8-4-5-11-21-17/h2-5,7-9,11,14,19H,6,10,12-13H2,1H3/t19-/m0/s1.
What are the key properties of 2-(1-methylindol-3-yl)-1-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone?
2-(1-methylindol-3-yl)-1-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone has a molecular weight of 319.41 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-1-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 94811631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).