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

C16H19F3N2O — CID 178091609

IUPAC5-methoxy-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)-1H-indole
SMILES[2H]C([2H])([2H])N1CCC[C@@H]1Cc1c(C(F)(F)F)[nH]c2ccc(OC)cc12
InChIInChI=1S/C16H19F3N2O/c1-21-7-3-4-10(21)8-13-12-9-11(22-2)5-6-14(12)20-15(13)16(17,18)19/h5-6,9-10,20H,3-4,7-8H2,1-2H3/t10-/m1/s1/i1D3
InChIKeyXEWFDGKSENKVQN-WQRHAFOGSA-N
MW315.35 g/mol
LogP3.83
Rot. Bonds4

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

5-methoxy-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)-1H-indole (PubChem CID 178091609) has the molecular formula C16H19F3N2O and a molecular weight of 315.35 g/mol. Its IUPAC name is 5-methoxy-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)-1H-indole.

Molecular Properties

Compound Name5-methoxy-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)-1H-indole
PubChem CID178091609
Molecular FormulaC16H19F3N2O
Molecular Weight315.35 g/mol
Exact Mass315.16
IUPAC Name5-methoxy-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)-1H-indole
SMILES[2H]C([2H])([2H])N1CCC[C@@H]1Cc1c(C(F)(F)F)[nH]c2ccc(OC)cc12
InChIInChI=1S/C16H19F3N2O/c1-21-7-3-4-10(21)8-13-12-9-11(22-2)5-6-14(12)20-15(13)16(17,18)19/h5-6,9-10,20H,3-4,7-8H2,1-2H3/t10-/m1/s1/i1D3
InChIKeyXEWFDGKSENKVQN-WQRHAFOGSA-N
XLogP3.83
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-5-methoxy-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 178091739
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-fluoro-2-methyl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 178091795
5-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-pyridin-3-yl-1H-indole
CID 178091733
2-[5-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]ethanol
CID 84637571
3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
CID 164912311
1-[2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 84582403
3-[5-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]propanenitrile
CID 84640649
2-methyl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-4-(trifluoromethoxy)-1H-indole
CID 178091548
[2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 84580768

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)-1H-indole?
The IUPAC name of 5-methoxy-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)-1H-indole (CID 178091609) is 5-methoxy-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)-1H-indole.
What is the SMILES notation for 5-methoxy-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)-1H-indole?
The canonical SMILES for 5-methoxy-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)-1H-indole is [2H]C([2H])([2H])N1CCC[C@@H]1Cc1c(C(F)(F)F)[nH]c2ccc(OC)cc12.
What is the InChIKey of 5-methoxy-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)-1H-indole?
The InChIKey is XEWFDGKSENKVQN-WQRHAFOGSA-N. The full InChI is InChI=1S/C16H19F3N2O/c1-21-7-3-4-10(21)8-13-12-9-11(22-2)5-6-14(12)20-15(13)16(17,18)19/h5-6,9-10,20H,3-4,7-8H2,1-2H3/t10-/m1/s1/i1D3.
What are the key properties of 5-methoxy-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)-1H-indole?
5-methoxy-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)-1H-indole has a molecular weight of 315.35 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)-1H-indole is sourced from PubChem (CID 178091609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).