5-methylsulfanyl-3-[[(2R)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indole

C20H23N3S — CID 176854792

IUPAC5-methylsulfanyl-3-[[(2R)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indole
SMILESCSc1ccc2[nH]cc(C[C@H]3CCCN3Cc3ccccn3)c2c1
InChIInChI=1S/C20H23N3S/c1-24-18-7-8-20-19(12-18)15(13-22-20)11-17-6-4-10-23(17)14-16-5-2-3-9-21-16/h2-3,5,7-9,12-13,17,22H,4,6,10-11,14H2,1H3/t17-/m1/s1
InChIKeyCSTHOLWWEUQOST-QGZVFWFLSA-N
MW337.49 g/mol
LogP4.49
Rot. Bonds5

About 5-methylsulfanyl-3-[[(2R)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indole

5-methylsulfanyl-3-[[(2R)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indole (PubChem CID 176854792) has the molecular formula C20H23N3S and a molecular weight of 337.49 g/mol. Its IUPAC name is 5-methylsulfanyl-3-[[(2R)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indole.

Molecular Properties

Compound Name5-methylsulfanyl-3-[[(2R)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indole
PubChem CID176854792
Molecular FormulaC20H23N3S
Molecular Weight337.49 g/mol
Exact Mass337.16
IUPAC Name5-methylsulfanyl-3-[[(2R)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indole
SMILESCSc1ccc2[nH]cc(C[C@H]3CCCN3Cc3ccccn3)c2c1
InChIInChI=1S/C20H23N3S/c1-24-18-7-8-20-19(12-18)15(13-22-20)11-17-6-4-10-23(17)14-16-5-2-3-9-21-16/h2-3,5,7-9,12-13,17,22H,4,6,10-11,14H2,1H3/t17-/m1/s1
InChIKeyCSTHOLWWEUQOST-QGZVFWFLSA-N
XLogP4.49
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methylsulfanyl-3-[[(2R)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indole with MolForge

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Related Compounds

3-[[(2R)-1-but-2-ynylpyrrolidin-2-yl]methyl]-5-methylsulfanyl-1H-indole
CID 176854869
2-[3-[(2R)-2-[(5-methylsulfanyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]propyl]-3H-isoindol-1-one
CID 176854684
1-[(3S)-3-[(2R)-2-[(5-methylsulfanyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]pyrrolidin-1-yl]ethanone
CID 176854838
3-[[(2R)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
CID 176854734
5-methoxy-3-[[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 177026458
1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-2,3-dihydroimidazo[4,5-b]pyridine
CID 54438250
2-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride
CID 138112738
5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 54476619
[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]methanol
CID 94336697
3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-(oxan-4-ylsulfanyl)-1H-indole
CID 176854776
3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-pyridin-3-yloxy-1H-indole
CID 177026604
5-methoxy-3-[[(2R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]-1H-indole
CID 176854720

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-3-[[(2R)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indole?
The IUPAC name of 5-methylsulfanyl-3-[[(2R)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indole (CID 176854792) is 5-methylsulfanyl-3-[[(2R)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indole.
What is the SMILES notation for 5-methylsulfanyl-3-[[(2R)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indole?
The canonical SMILES for 5-methylsulfanyl-3-[[(2R)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indole is CSc1ccc2[nH]cc(C[C@H]3CCCN3Cc3ccccn3)c2c1.
What is the InChIKey of 5-methylsulfanyl-3-[[(2R)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indole?
The InChIKey is CSTHOLWWEUQOST-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23N3S/c1-24-18-7-8-20-19(12-18)15(13-22-20)11-17-6-4-10-23(17)14-16-5-2-3-9-21-16/h2-3,5,7-9,12-13,17,22H,4,6,10-11,14H2,1H3/t17-/m1/s1.
What are the key properties of 5-methylsulfanyl-3-[[(2R)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indole?
5-methylsulfanyl-3-[[(2R)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indole has a molecular weight of 337.49 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-3-[[(2R)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indole is sourced from PubChem (CID 176854792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).