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

C20H28N2O — CID 178091739

IUPAC2-cyclopentyl-5-methoxy-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
SMILES[2H]C([2H])([2H])N1CCC[C@@H]1Cc1c(C2CCCC2)[nH]c2ccc(OC)cc12
InChIInChI=1S/C20H28N2O/c1-22-11-5-8-15(22)12-18-17-13-16(23-2)9-10-19(17)21-20(18)14-6-3-4-7-14/h9-10,13-15,21H,3-8,11-12H2,1-2H3/t15-/m1/s1/i1D3
InChIKeyJBPGCCCNQDMRHY-DDOHFVCQSA-N
MW315.48 g/mol
LogP4.47
Rot. Bonds5

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

2-cyclopentyl-5-methoxy-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole (PubChem CID 178091739) has the molecular formula C20H28N2O and a molecular weight of 315.48 g/mol. Its IUPAC name is 2-cyclopentyl-5-methoxy-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole.

Molecular Properties

Compound Name2-cyclopentyl-5-methoxy-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
PubChem CID178091739
Molecular FormulaC20H28N2O
Molecular Weight315.48 g/mol
Exact Mass315.24
IUPAC Name2-cyclopentyl-5-methoxy-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
SMILES[2H]C([2H])([2H])N1CCC[C@@H]1Cc1c(C2CCCC2)[nH]c2ccc(OC)cc12
InChIInChI=1S/C20H28N2O/c1-22-11-5-8-15(22)12-18-17-13-16(23-2)9-10-19(17)21-20(18)14-6-3-4-7-14/h9-10,13-15,21H,3-8,11-12H2,1-2H3/t15-/m1/s1/i1D3
InChIKeyJBPGCCCNQDMRHY-DDOHFVCQSA-N
XLogP4.47
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)-1H-indole
CID 178091609
5-methoxy-2-(3H-pyrrol-5-yl)-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 178091704
5-methoxy-2-pyridin-3-yl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 178091791
5-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-propan-2-yl-1H-indole
CID 178091784
5-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-pyridin-3-yl-1H-indole
CID 178091733
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
2-cyclopropyl-4-fluoro-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 178091734
1-[2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 84582403
2-cyclobutyl-5-methoxy-1H-indole-3-carboxylic acid
CID 84728522
7-methoxy-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene
CID 164872491
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 2-cyclopentyl-5-methoxy-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole?
The IUPAC name of 2-cyclopentyl-5-methoxy-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole (CID 178091739) is 2-cyclopentyl-5-methoxy-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole.
What is the SMILES notation for 2-cyclopentyl-5-methoxy-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole?
The canonical SMILES for 2-cyclopentyl-5-methoxy-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole is [2H]C([2H])([2H])N1CCC[C@@H]1Cc1c(C2CCCC2)[nH]c2ccc(OC)cc12.
What is the InChIKey of 2-cyclopentyl-5-methoxy-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole?
The InChIKey is JBPGCCCNQDMRHY-DDOHFVCQSA-N. The full InChI is InChI=1S/C20H28N2O/c1-22-11-5-8-15(22)12-18-17-13-16(23-2)9-10-19(17)21-20(18)14-6-3-4-7-14/h9-10,13-15,21H,3-8,11-12H2,1-2H3/t15-/m1/s1/i1D3.
What are the key properties of 2-cyclopentyl-5-methoxy-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole?
2-cyclopentyl-5-methoxy-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole has a molecular weight of 315.48 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-methoxy-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole is sourced from PubChem (CID 178091739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).