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

C15H19FN2 — CID 178091795

IUPAC5-fluoro-2-methyl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
SMILES[2H]C([2H])([2H])N1CCC[C@@H]1Cc1c(C)[nH]c2ccc(F)cc12
InChIInChI=1S/C15H19FN2/c1-10-13(9-12-4-3-7-18(12)2)14-8-11(16)5-6-15(14)17-10/h5-6,8,12,17H,3-4,7,9H2,1-2H3/t12-/m1/s1/i2D3
InChIKeyKDQYJDNASARTIV-IBIJPGRPSA-N
MW249.35 g/mol
LogP3.25
Rot. Bonds3

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

5-fluoro-2-methyl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole (PubChem CID 178091795) has the molecular formula C15H19FN2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 5-fluoro-2-methyl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole.

Molecular Properties

Compound Name5-fluoro-2-methyl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
PubChem CID178091795
Molecular FormulaC15H19FN2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name5-fluoro-2-methyl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
SMILES[2H]C([2H])([2H])N1CCC[C@@H]1Cc1c(C)[nH]c2ccc(F)cc12
InChIInChI=1S/C15H19FN2/c1-10-13(9-12-4-3-7-18(12)2)14-8-11(16)5-6-15(14)17-10/h5-6,8,12,17H,3-4,7,9H2,1-2H3/t12-/m1/s1/i2D3
InChIKeyKDQYJDNASARTIV-IBIJPGRPSA-N
XLogP3.25
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-methyl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 178091616
2-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]cyclohexan-1-amine
CID 84638269
2-methyl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-4-(trifluoromethoxy)-1H-indole
CID 178091548
5-methoxy-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)-1H-indole
CID 178091609
2-cyclopentyl-5-methoxy-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 178091739
5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 54476619
5-methoxy-2-(3H-pyrrol-5-yl)-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 178091704
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
5-methoxy-2-pyridin-3-yl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 178091791
N-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]propan-2-amine
CID 65335821
[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-fluoro-2-methyl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole?
The IUPAC name of 5-fluoro-2-methyl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole (CID 178091795) is 5-fluoro-2-methyl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole.
What is the SMILES notation for 5-fluoro-2-methyl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole?
The canonical SMILES for 5-fluoro-2-methyl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole is [2H]C([2H])([2H])N1CCC[C@@H]1Cc1c(C)[nH]c2ccc(F)cc12.
What is the InChIKey of 5-fluoro-2-methyl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole?
The InChIKey is KDQYJDNASARTIV-IBIJPGRPSA-N. The full InChI is InChI=1S/C15H19FN2/c1-10-13(9-12-4-3-7-18(12)2)14-8-11(16)5-6-15(14)17-10/h5-6,8,12,17H,3-4,7,9H2,1-2H3/t12-/m1/s1/i2D3.
What are the key properties of 5-fluoro-2-methyl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole?
5-fluoro-2-methyl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole has a molecular weight of 249.35 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole is sourced from PubChem (CID 178091795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).