5-methoxy-3-[[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indole

C19H22N2OS — CID 177026458

IUPAC5-methoxy-3-[[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indole
SMILESCOc1ccc2[nH]cc(CC3CCCN3Cc3cccs3)c2c1
InChIInChI=1S/C19H22N2OS/c1-22-16-6-7-19-18(11-16)14(12-20-19)10-15-4-2-8-21(15)13-17-5-3-9-23-17/h3,5-7,9,11-12,15,20H,2,4,8,10,13H2,1H3
InChIKeyYAKKXTCKRRGUKY-UHFFFAOYSA-N
MW326.47 g/mol
LogP4.45
Rot. Bonds5

About 5-methoxy-3-[[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indole

5-methoxy-3-[[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indole (PubChem CID 177026458) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is 5-methoxy-3-[[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indole.

Molecular Properties

Compound Name5-methoxy-3-[[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indole
PubChem CID177026458
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name5-methoxy-3-[[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indole
SMILESCOc1ccc2[nH]cc(CC3CCCN3Cc3cccs3)c2c1
InChIInChI=1S/C19H22N2OS/c1-22-16-6-7-19-18(11-16)14(12-20-19)10-15-4-2-8-21(15)13-17-5-3-9-23-17/h3,5-7,9,11-12,15,20H,2,4,8,10,13H2,1H3
InChIKeyYAKKXTCKRRGUKY-UHFFFAOYSA-N
XLogP4.45
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 176854789
N-methyl-1-[3-[[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indol-5-yl]methanesulfonamide
CID 101364287
3-[[(2R)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
CID 176854734
5-methoxy-3-[[(2R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]-1H-indole
CID 176854720
3-[[(2R)-1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
CID 176854698
CID 177026586
CID 177026586
3-[[(2R)-1-cyclobutylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
CID 176854871
formaldehyde;4-[2-[(5-methoxy-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-N-methylbutan-1-amine
CID 177026451
3-[[(2R)-1-[3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
CID 176854864
5-methoxy-3-[(1-methylazetidin-2-yl)methyl]-1H-indole
CID 19970245
3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-pyridin-3-yloxy-1H-indole
CID 177026604
2-[4-[(2R)-2-[(5-methoxy-1H-indol-3-yl)methyl]pyrrolidin-1-yl]butyl]-3H-isoindol-1-one
CID 176854861

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indole?
The IUPAC name of 5-methoxy-3-[[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indole (CID 177026458) is 5-methoxy-3-[[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indole.
What is the SMILES notation for 5-methoxy-3-[[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indole?
The canonical SMILES for 5-methoxy-3-[[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indole is COc1ccc2[nH]cc(CC3CCCN3Cc3cccs3)c2c1.
What is the InChIKey of 5-methoxy-3-[[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indole?
The InChIKey is YAKKXTCKRRGUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-22-16-6-7-19-18(11-16)14(12-20-19)10-15-4-2-8-21(15)13-17-5-3-9-23-17/h3,5-7,9,11-12,15,20H,2,4,8,10,13H2,1H3.
What are the key properties of 5-methoxy-3-[[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indole?
5-methoxy-3-[[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indole has a molecular weight of 326.47 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indole is sourced from PubChem (CID 177026458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).