(2-pyridin-3-ylpyrrolidin-1-yl)-(3,5,7-trimethyl-1H-indol-2-yl)methanone

C21H23N3O — CID 131934792

IUPAC(2-pyridin-3-ylpyrrolidin-1-yl)-(3,5,7-trimethyl-1H-indol-2-yl)methanone
SMILESCc1cc(C)c2[nH]c(C(=O)N3CCCC3c3cccnc3)c(C)c2c1
InChIInChI=1S/C21H23N3O/c1-13-10-14(2)19-17(11-13)15(3)20(23-19)21(25)24-9-5-7-18(24)16-6-4-8-22-12-16/h4,6,8,10-12,18,23H,5,7,9H2,1-3H3
InChIKeyQJJASLOGXLPXBT-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.47
Rot. Bonds2

About (2-pyridin-3-ylpyrrolidin-1-yl)-(3,5,7-trimethyl-1H-indol-2-yl)methanone

(2-pyridin-3-ylpyrrolidin-1-yl)-(3,5,7-trimethyl-1H-indol-2-yl)methanone (PubChem CID 131934792) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is (2-pyridin-3-ylpyrrolidin-1-yl)-(3,5,7-trimethyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(2-pyridin-3-ylpyrrolidin-1-yl)-(3,5,7-trimethyl-1H-indol-2-yl)methanone
PubChem CID131934792
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name(2-pyridin-3-ylpyrrolidin-1-yl)-(3,5,7-trimethyl-1H-indol-2-yl)methanone
SMILESCc1cc(C)c2[nH]c(C(=O)N3CCCC3c3cccnc3)c(C)c2c1
InChIInChI=1S/C21H23N3O/c1-13-10-14(2)19-17(11-13)15(3)20(23-19)21(25)24-9-5-7-18(24)16-6-4-8-22-12-16/h4,6,8,10-12,18,23H,5,7,9H2,1-3H3
InChIKeyQJJASLOGXLPXBT-UHFFFAOYSA-N
XLogP4.47
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.47
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

[(2S)-2-pyridin-2-ylpiperidin-1-yl]-(3,5,7-trimethyl-1H-indol-2-yl)methanone
CID 97137913
(2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110871555
(2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 39490617
(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 97207892
(5-bromo-2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 65311628
(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 130423668
(3,5-dimethoxyphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867000
(2,4-dimethyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 136551647
(3,4-dichlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867001
(3-methylpyrrolidin-2-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 102777436
(2-pyridin-3-ylpyrrolidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 136529691
(3-iodophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 60697684

Frequently Asked Questions

What is the IUPAC name of (2-pyridin-3-ylpyrrolidin-1-yl)-(3,5,7-trimethyl-1H-indol-2-yl)methanone?
The IUPAC name of (2-pyridin-3-ylpyrrolidin-1-yl)-(3,5,7-trimethyl-1H-indol-2-yl)methanone (CID 131934792) is (2-pyridin-3-ylpyrrolidin-1-yl)-(3,5,7-trimethyl-1H-indol-2-yl)methanone.
What is the SMILES notation for (2-pyridin-3-ylpyrrolidin-1-yl)-(3,5,7-trimethyl-1H-indol-2-yl)methanone?
The canonical SMILES for (2-pyridin-3-ylpyrrolidin-1-yl)-(3,5,7-trimethyl-1H-indol-2-yl)methanone is Cc1cc(C)c2[nH]c(C(=O)N3CCCC3c3cccnc3)c(C)c2c1.
What is the InChIKey of (2-pyridin-3-ylpyrrolidin-1-yl)-(3,5,7-trimethyl-1H-indol-2-yl)methanone?
The InChIKey is QJJASLOGXLPXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-13-10-14(2)19-17(11-13)15(3)20(23-19)21(25)24-9-5-7-18(24)16-6-4-8-22-12-16/h4,6,8,10-12,18,23H,5,7,9H2,1-3H3.
What are the key properties of (2-pyridin-3-ylpyrrolidin-1-yl)-(3,5,7-trimethyl-1H-indol-2-yl)methanone?
(2-pyridin-3-ylpyrrolidin-1-yl)-(3,5,7-trimethyl-1H-indol-2-yl)methanone has a molecular weight of 333.44 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyridin-3-ylpyrrolidin-1-yl)-(3,5,7-trimethyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 131934792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).