5-methoxy-2-(3H-pyrrol-5-yl)-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole

C19H23N3O — CID 178091704

IUPAC5-methoxy-2-(3H-pyrrol-5-yl)-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
SMILES[2H]C([2H])([2H])N1CCC[C@@H]1Cc1c(C2=CCC=N2)[nH]c2ccc(OC)cc12
InChIInChI=1S/C19H23N3O/c1-22-10-4-5-13(22)11-16-15-12-14(23-2)7-8-17(15)21-19(16)18-6-3-9-20-18/h6-9,12-13,21H,3-5,10-11H2,1-2H3/t13-/m1/s1/i1D3
InChIKeyQAZYJJJWGITONM-JJMJVRKHSA-N
MW312.43 g/mol
LogP3.63
Rot. Bonds5

About 5-methoxy-2-(3H-pyrrol-5-yl)-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole

5-methoxy-2-(3H-pyrrol-5-yl)-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole (PubChem CID 178091704) has the molecular formula C19H23N3O and a molecular weight of 312.43 g/mol. Its IUPAC name is 5-methoxy-2-(3H-pyrrol-5-yl)-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole.

Molecular Properties

Compound Name5-methoxy-2-(3H-pyrrol-5-yl)-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
PubChem CID178091704
Molecular FormulaC19H23N3O
Molecular Weight312.43 g/mol
Exact Mass312.20
IUPAC Name5-methoxy-2-(3H-pyrrol-5-yl)-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
SMILES[2H]C([2H])([2H])N1CCC[C@@H]1Cc1c(C2=CCC=N2)[nH]c2ccc(OC)cc12
InChIInChI=1S/C19H23N3O/c1-22-10-4-5-13(22)11-16-15-12-14(23-2)7-8-17(15)21-19(16)18-6-3-9-20-18/h6-9,12-13,21H,3-5,10-11H2,1-2H3/t13-/m1/s1/i1D3
InChIKeyQAZYJJJWGITONM-JJMJVRKHSA-N
XLogP3.63
TPSA40.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methoxy-2-(3H-pyrrol-5-yl)-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole 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

5-methoxy-2-pyridin-3-yl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 178091791
2-cyclopentyl-5-methoxy-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 178091739
5-methoxy-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)-1H-indole
CID 178091609
5-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-pyridin-3-yl-1H-indole
CID 178091733
5-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-propan-2-yl-1H-indole
CID 178091784
3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
CID 164912311
5-fluoro-2-methyl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 178091795
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
[2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 84580768
(5-methoxy-3-methyl-1H-indol-2-yl)-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 74238881
acetylene;7-methoxy-16-methyl-3,12-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene
CID 177142000

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(3H-pyrrol-5-yl)-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole?
The IUPAC name of 5-methoxy-2-(3H-pyrrol-5-yl)-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole (CID 178091704) is 5-methoxy-2-(3H-pyrrol-5-yl)-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole.
What is the SMILES notation for 5-methoxy-2-(3H-pyrrol-5-yl)-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole?
The canonical SMILES for 5-methoxy-2-(3H-pyrrol-5-yl)-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole is [2H]C([2H])([2H])N1CCC[C@@H]1Cc1c(C2=CCC=N2)[nH]c2ccc(OC)cc12.
What is the InChIKey of 5-methoxy-2-(3H-pyrrol-5-yl)-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole?
The InChIKey is QAZYJJJWGITONM-JJMJVRKHSA-N. The full InChI is InChI=1S/C19H23N3O/c1-22-10-4-5-13(22)11-16-15-12-14(23-2)7-8-17(15)21-19(16)18-6-3-9-20-18/h6-9,12-13,21H,3-5,10-11H2,1-2H3/t13-/m1/s1/i1D3.
What are the key properties of 5-methoxy-2-(3H-pyrrol-5-yl)-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole?
5-methoxy-2-(3H-pyrrol-5-yl)-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole has a molecular weight of 312.43 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(3H-pyrrol-5-yl)-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole is sourced from PubChem (CID 178091704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).