(2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone

C20H21N3O — CID 39490617

IUPAC(2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
SMILESCc1[nH]c2ccc(C(=O)N3CCC[C@@H]3c3cccnc3)cc2c1C
InChIInChI=1S/C20H21N3O/c1-13-14(2)22-18-8-7-15(11-17(13)18)20(24)23-10-4-6-19(23)16-5-3-9-21-12-16/h3,5,7-9,11-12,19,22H,4,6,10H2,1-2H3/t19-/m1/s1
InChIKeyMHHYEKCRCADZPY-LJQANCHMSA-N
MW319.41 g/mol
LogP4.16
Rot. Bonds2

About (2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone

(2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone (PubChem CID 39490617) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is (2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
PubChem CID39490617
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name(2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
SMILESCc1[nH]c2ccc(C(=O)N3CCC[C@@H]3c3cccnc3)cc2c1C
InChIInChI=1S/C20H21N3O/c1-13-14(2)22-18-8-7-15(11-17(13)18)20(24)23-10-4-6-19(23)16-5-3-9-21-12-16/h3,5,7-9,11-12,19,22H,4,6,10H2,1-2H3/t19-/m1/s1
InChIKeyMHHYEKCRCADZPY-LJQANCHMSA-N
XLogP4.16
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 97207892
(2,3-dimethyl-1H-indol-5-yl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 72898684
(3,4-dichlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867001
(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 130423668
(2,3-dimethyl-1H-indol-5-yl)-(2-methylpiperidin-1-yl)methanone
CID 43397948
(2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79029189
(3-iodophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 60697684
(2-pyridin-3-ylpyrrolidin-1-yl)-(3,5,7-trimethyl-1H-indol-2-yl)methanone
CID 131934792
(3,5-dimethoxyphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867000
(2,3-dimethyl-1H-indol-5-yl)-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
CID 136539510
(2,3-dimethyl-1H-indol-5-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332978
(2-amino-1,3-benzothiazol-5-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 155494071

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone (CID 39490617) is (2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone is Cc1[nH]c2ccc(C(=O)N3CCC[C@@H]3c3cccnc3)cc2c1C.
What is the InChIKey of (2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone?
The InChIKey is MHHYEKCRCADZPY-LJQANCHMSA-N. The full InChI is InChI=1S/C20H21N3O/c1-13-14(2)22-18-8-7-15(11-17(13)18)20(24)23-10-4-6-19(23)16-5-3-9-21-12-16/h3,5,7-9,11-12,19,22H,4,6,10H2,1-2H3/t19-/m1/s1.
What are the key properties of (2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone?
(2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone has a molecular weight of 319.41 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 39490617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).