3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-pyridin-3-yloxy-1H-indole

C21H25N3O2 — CID 177026604

IUPAC3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-pyridin-3-yloxy-1H-indole
SMILESCOCCN1CCCC1Cc1c[nH]c2ccc(Oc3cccnc3)cc12
InChIInChI=1S/C21H25N3O2/c1-25-11-10-24-9-3-4-17(24)12-16-14-23-21-7-6-18(13-20(16)21)26-19-5-2-8-22-15-19/h2,5-8,13-15,17,23H,3-4,9-12H2,1H3
InChIKeyULYNCAVVOSBVEB-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.01
Rot. Bonds7

About 3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-pyridin-3-yloxy-1H-indole

3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-pyridin-3-yloxy-1H-indole (PubChem CID 177026604) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-pyridin-3-yloxy-1H-indole.

Molecular Properties

Compound Name3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-pyridin-3-yloxy-1H-indole
PubChem CID177026604
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-pyridin-3-yloxy-1H-indole
SMILESCOCCN1CCCC1Cc1c[nH]c2ccc(Oc3cccnc3)cc12
InChIInChI=1S/C21H25N3O2/c1-25-11-10-24-9-3-4-17(24)12-16-14-23-21-7-6-18(13-20(16)21)26-19-5-2-8-22-15-19/h2,5-8,13-15,17,23H,3-4,9-12H2,1H3
InChIKeyULYNCAVVOSBVEB-UHFFFAOYSA-N
XLogP4.01
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-pyridin-3-yloxy-1H-indole?
The IUPAC name of 3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-pyridin-3-yloxy-1H-indole (CID 177026604) is 3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-pyridin-3-yloxy-1H-indole.
What is the SMILES notation for 3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-pyridin-3-yloxy-1H-indole?
The canonical SMILES for 3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-pyridin-3-yloxy-1H-indole is COCCN1CCCC1Cc1c[nH]c2ccc(Oc3cccnc3)cc12.
What is the InChIKey of 3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-pyridin-3-yloxy-1H-indole?
The InChIKey is ULYNCAVVOSBVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-25-11-10-24-9-3-4-17(24)12-16-14-23-21-7-6-18(13-20(16)21)26-19-5-2-8-22-15-19/h2,5-8,13-15,17,23H,3-4,9-12H2,1H3.
What are the key properties of 3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-pyridin-3-yloxy-1H-indole?
3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-pyridin-3-yloxy-1H-indole has a molecular weight of 351.45 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-pyridin-3-yloxy-1H-indole is sourced from PubChem (CID 177026604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).