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

C22H24F2N2O2 — CID 176854698

IUPAC3-[[(2R)-1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(C[C@H]3CCCN3Cc3ccc(OC(F)F)cc3)c2c1
InChIInChI=1S/C22H24F2N2O2/c1-27-19-8-9-21-20(12-19)16(13-25-21)11-17-3-2-10-26(17)14-15-4-6-18(7-5-15)28-22(23)24/h4-9,12-13,17,22,25H,2-3,10-11,14H2,1H3/t17-/m1/s1
InChIKeyNGXWOSRQPGGPTM-QGZVFWFLSA-N
MW386.44 g/mol
LogP4.99
Rot. Bonds7

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

3-[[(2R)-1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole (PubChem CID 176854698) has the molecular formula C22H24F2N2O2 and a molecular weight of 386.44 g/mol. Its IUPAC name is 3-[[(2R)-1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole.

Molecular Properties

Compound Name3-[[(2R)-1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
PubChem CID176854698
Molecular FormulaC22H24F2N2O2
Molecular Weight386.44 g/mol
Exact Mass386.18
IUPAC Name3-[[(2R)-1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(C[C@H]3CCCN3Cc3ccc(OC(F)F)cc3)c2c1
InChIInChI=1S/C22H24F2N2O2/c1-27-19-8-9-21-20(12-19)16(13-25-21)11-17-3-2-10-26(17)14-15-4-6-18(7-5-15)28-22(23)24/h4-9,12-13,17,22,25H,2-3,10-11,14H2,1H3/t17-/m1/s1
InChIKeyNGXWOSRQPGGPTM-QGZVFWFLSA-N
XLogP4.99
TPSA37.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[(2R)-1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole with MolForge

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Related Compounds

5-methoxy-3-[[(2R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]-1H-indole
CID 176854720
3-[[(2R)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
CID 176854734
3-[[(2R)-1-[3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
CID 176854864
5-methoxy-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 176854789
5-methoxy-3-[[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 177026458
CID 177026586
CID 177026586
3-[[(2R)-1-cyclobutylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
CID 176854871
3-[[1-[3-(difluoromethoxy)propyl]pyrrolidin-2-yl]methyl]-5-propan-2-yloxy-1H-indole
CID 177026521
formaldehyde;4-[2-[(5-methoxy-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-N-methylbutan-1-amine
CID 177026451
5-methoxy-3-[(1-methylazetidin-2-yl)methyl]-1H-indole
CID 19970245
4-[2-[(5-methoxy-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-N-methylbutan-1-amine;2,2,2-trifluoroacetaldehyde
CID 177026595
[1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 75467118

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole?
The IUPAC name of 3-[[(2R)-1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole (CID 176854698) is 3-[[(2R)-1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole.
What is the SMILES notation for 3-[[(2R)-1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole?
The canonical SMILES for 3-[[(2R)-1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole is COc1ccc2[nH]cc(C[C@H]3CCCN3Cc3ccc(OC(F)F)cc3)c2c1.
What is the InChIKey of 3-[[(2R)-1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole?
The InChIKey is NGXWOSRQPGGPTM-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H24F2N2O2/c1-27-19-8-9-21-20(12-19)16(13-25-21)11-17-3-2-10-26(17)14-15-4-6-18(7-5-15)28-22(23)24/h4-9,12-13,17,22,25H,2-3,10-11,14H2,1H3/t17-/m1/s1.
What are the key properties of 3-[[(2R)-1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole?
3-[[(2R)-1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole has a molecular weight of 386.44 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole is sourced from PubChem (CID 176854698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).