5-[[(3S)-3-(3-methoxypropoxy)pyrrolidin-1-yl]methyl]-2-(pyrrolidin-1-ylmethyl)-1H-indole

C22H33N3O2 — CID 11523596

IUPAC5-[[(3S)-3-(3-methoxypropoxy)pyrrolidin-1-yl]methyl]-2-(pyrrolidin-1-ylmethyl)-1H-indole
SMILESCOCCCO[C@H]1CCN(Cc2ccc3[nH]c(CN4CCCC4)cc3c2)C1
InChIInChI=1S/C22H33N3O2/c1-26-11-4-12-27-21-7-10-25(17-21)15-18-5-6-22-19(13-18)14-20(23-22)16-24-8-2-3-9-24/h5-6,13-14,21,23H,2-4,7-12,15-17H2,1H3/t21-/m0/s1
InChIKeyXZGGVFMFIUZCGC-NRFANRHFSA-N
MW371.53 g/mol
LogP3.39
Rot. Bonds9

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

5-[[(3S)-3-(3-methoxypropoxy)pyrrolidin-1-yl]methyl]-2-(pyrrolidin-1-ylmethyl)-1H-indole (PubChem CID 11523596) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 5-[[(3S)-3-(3-methoxypropoxy)pyrrolidin-1-yl]methyl]-2-(pyrrolidin-1-ylmethyl)-1H-indole.

Molecular Properties

Compound Name5-[[(3S)-3-(3-methoxypropoxy)pyrrolidin-1-yl]methyl]-2-(pyrrolidin-1-ylmethyl)-1H-indole
PubChem CID11523596
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name5-[[(3S)-3-(3-methoxypropoxy)pyrrolidin-1-yl]methyl]-2-(pyrrolidin-1-ylmethyl)-1H-indole
SMILESCOCCCO[C@H]1CCN(Cc2ccc3[nH]c(CN4CCCC4)cc3c2)C1
InChIInChI=1S/C22H33N3O2/c1-26-11-4-12-27-21-7-10-25(17-21)15-18-5-6-22-19(13-18)14-20(23-22)16-24-8-2-3-9-24/h5-6,13-14,21,23H,2-4,7-12,15-17H2,1H3/t21-/m0/s1
InChIKeyXZGGVFMFIUZCGC-NRFANRHFSA-N
XLogP3.39
TPSA40.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[(3S)-3-(2-ethoxyethoxy)pyrrolidin-1-yl]methyl]-2-(pyrrolidin-1-ylmethyl)-1H-indole
CID 11501605
5-chloro-2-(pyrrolidin-1-ylmethyl)-1H-indole
CID 117176612
5-chloro-2-(piperidin-1-ylmethyl)-1H-indole
CID 117176618
5-bromo-2-(pyrrolidin-1-ylmethyl)-1H-indole
CID 66670945
2-[[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]-5-methoxy-1H-indole
CID 127246676
5-[(3-methoxypropylamino)methyl]-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one
CID 68827394
[2-(azepan-1-ylmethyl)-1H-indol-6-yl]methanamine
CID 117179946
5-[(4-methylpiperidin-1-yl)methyl]-1H-indole
CID 90949338
2-fluoro-4-[(3-propoxypiperidin-1-yl)methyl]phenol
CID 107694025
4-methoxy-1-[(2-methyl-1H-indol-5-yl)methyl]piperidin-4-ol
CID 143658503
3-[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79732218
1-[3-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]oxypropyl]-4-[(4-propan-2-ylphenyl)methyl]piperazine
CID 167386719

Frequently Asked Questions

What is the IUPAC name of 5-[[(3S)-3-(3-methoxypropoxy)pyrrolidin-1-yl]methyl]-2-(pyrrolidin-1-ylmethyl)-1H-indole?
The IUPAC name of 5-[[(3S)-3-(3-methoxypropoxy)pyrrolidin-1-yl]methyl]-2-(pyrrolidin-1-ylmethyl)-1H-indole (CID 11523596) is 5-[[(3S)-3-(3-methoxypropoxy)pyrrolidin-1-yl]methyl]-2-(pyrrolidin-1-ylmethyl)-1H-indole.
What is the SMILES notation for 5-[[(3S)-3-(3-methoxypropoxy)pyrrolidin-1-yl]methyl]-2-(pyrrolidin-1-ylmethyl)-1H-indole?
The canonical SMILES for 5-[[(3S)-3-(3-methoxypropoxy)pyrrolidin-1-yl]methyl]-2-(pyrrolidin-1-ylmethyl)-1H-indole is COCCCO[C@H]1CCN(Cc2ccc3[nH]c(CN4CCCC4)cc3c2)C1.
What is the InChIKey of 5-[[(3S)-3-(3-methoxypropoxy)pyrrolidin-1-yl]methyl]-2-(pyrrolidin-1-ylmethyl)-1H-indole?
The InChIKey is XZGGVFMFIUZCGC-NRFANRHFSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-26-11-4-12-27-21-7-10-25(17-21)15-18-5-6-22-19(13-18)14-20(23-22)16-24-8-2-3-9-24/h5-6,13-14,21,23H,2-4,7-12,15-17H2,1H3/t21-/m0/s1.
What are the key properties of 5-[[(3S)-3-(3-methoxypropoxy)pyrrolidin-1-yl]methyl]-2-(pyrrolidin-1-ylmethyl)-1H-indole?
5-[[(3S)-3-(3-methoxypropoxy)pyrrolidin-1-yl]methyl]-2-(pyrrolidin-1-ylmethyl)-1H-indole has a molecular weight of 371.53 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3S)-3-(3-methoxypropoxy)pyrrolidin-1-yl]methyl]-2-(pyrrolidin-1-ylmethyl)-1H-indole is sourced from PubChem (CID 11523596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).