3-[[(2R)-1-[3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole

C23H27FN2O — CID 176854864

IUPAC3-[[(2R)-1-[3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(C[C@H]3CCCN3CCCc3ccc(F)cc3)c2c1
InChIInChI=1S/C23H27FN2O/c1-27-21-10-11-23-22(15-21)18(16-25-23)14-20-5-3-13-26(20)12-2-4-17-6-8-19(24)9-7-17/h6-11,15-16,20,25H,2-5,12-14H2,1H3/t20-/m1/s1
InChIKeyXFOATXDAQBJGSE-HXUWFJFHSA-N
MW366.48 g/mol
LogP4.96
Rot. Bonds7

About 3-[[(2R)-1-[3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole

3-[[(2R)-1-[3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole (PubChem CID 176854864) has the molecular formula C23H27FN2O and a molecular weight of 366.48 g/mol. Its IUPAC name is 3-[[(2R)-1-[3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole.

Molecular Properties

Compound Name3-[[(2R)-1-[3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
PubChem CID176854864
Molecular FormulaC23H27FN2O
Molecular Weight366.48 g/mol
Exact Mass366.21
IUPAC Name3-[[(2R)-1-[3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(C[C@H]3CCCN3CCCc3ccc(F)cc3)c2c1
InChIInChI=1S/C23H27FN2O/c1-27-21-10-11-23-22(15-21)18(16-25-23)14-20-5-3-13-26(20)12-2-4-17-6-8-19(24)9-7-17/h6-11,15-16,20,25H,2-5,12-14H2,1H3/t20-/m1/s1
InChIKeyXFOATXDAQBJGSE-HXUWFJFHSA-N
XLogP4.96
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2R)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
CID 176854734
5-methoxy-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 176854789
formaldehyde;4-[2-[(5-methoxy-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-N-methylbutan-1-amine
CID 177026451
3-[[(2R)-1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
CID 176854698
4-[2-[(5-methoxy-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-N-methylbutan-1-amine;2,2,2-trifluoroacetaldehyde
CID 177026595
5-methoxy-3-[[(2R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]-1H-indole
CID 176854720
CID 177026586
CID 177026586
2-[4-[(2R)-2-[(5-methoxy-1H-indol-3-yl)methyl]pyrrolidin-1-yl]butyl]-3H-isoindol-1-one
CID 176854861
3-[3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72734844
5-methoxy-3-[(1-methylazetidin-2-yl)methyl]-1H-indole
CID 19970245
3-[[(2R)-1-cyclobutylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
CID 176854871
5-methoxy-3-[[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 177026458

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-1-[3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole?
The IUPAC name of 3-[[(2R)-1-[3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole (CID 176854864) is 3-[[(2R)-1-[3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole.
What is the SMILES notation for 3-[[(2R)-1-[3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole?
The canonical SMILES for 3-[[(2R)-1-[3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole is COc1ccc2[nH]cc(C[C@H]3CCCN3CCCc3ccc(F)cc3)c2c1.
What is the InChIKey of 3-[[(2R)-1-[3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole?
The InChIKey is XFOATXDAQBJGSE-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H27FN2O/c1-27-21-10-11-23-22(15-21)18(16-25-23)14-20-5-3-13-26(20)12-2-4-17-6-8-19(24)9-7-17/h6-11,15-16,20,25H,2-5,12-14H2,1H3/t20-/m1/s1.
What are the key properties of 3-[[(2R)-1-[3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole?
3-[[(2R)-1-[3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole has a molecular weight of 366.48 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-1-[3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole is sourced from PubChem (CID 176854864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).