[2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone

C23H26N2O3 — CID 84580768

IUPAC[2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccc2[nH]c(C)c(CC3CCCN3C(=O)c3ccccc3OC)c2c1
InChIInChI=1S/C23H26N2O3/c1-15-19(20-14-17(27-2)10-11-21(20)24-15)13-16-7-6-12-25(16)23(26)18-8-4-5-9-22(18)28-3/h4-5,8-11,14,16,24H,6-7,12-13H2,1-3H3
InChIKeyCXKZMKQPWXMUTA-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.34
Rot. Bonds5

About [2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone

[2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 84580768) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is [2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
PubChem CID84580768
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name[2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccc2[nH]c(C)c(CC3CCCN3C(=O)c3ccccc3OC)c2c1
InChIInChI=1S/C23H26N2O3/c1-15-19(20-14-17(27-2)10-11-21(20)24-15)13-16-7-6-12-25(16)23(26)18-8-4-5-9-22(18)28-3/h4-5,8-11,14,16,24H,6-7,12-13H2,1-3H3
InChIKeyCXKZMKQPWXMUTA-UHFFFAOYSA-N
XLogP4.34
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 84582403
1-[2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 84580204
(5-methoxy-3-methyl-1H-indol-2-yl)-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 74238881
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 28706937
(2-methoxyphenyl)-[2-(sulfanylmethyl)pyrrolidin-1-yl]methanone
CID 20623537
(2-methoxyphenyl)-[(2R)-2-(sulfanylmethyl)pyrrolidin-1-yl]methanone
CID 59949488
(2-methoxyphenyl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 78834014
2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol
CID 84637812
[2-(2-aminoethyl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 63755191
(2-benzylpyrrolidin-1-yl)-(2-methoxy-5-methylsulfonylphenyl)methanone
CID 126807281
[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-(1,2,5-trimethylpyrrol-3-yl)methanone
CID 136579748
[2-(bromomethyl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone
CID 80659468

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone (CID 84580768) is [2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone is COc1ccc2[nH]c(C)c(CC3CCCN3C(=O)c3ccccc3OC)c2c1.
What is the InChIKey of [2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is CXKZMKQPWXMUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-15-19(20-14-17(27-2)10-11-21(20)24-15)13-16-7-6-12-25(16)23(26)18-8-4-5-9-22(18)28-3/h4-5,8-11,14,16,24H,6-7,12-13H2,1-3H3.
What are the key properties of [2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
[2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 378.47 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 84580768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).