1-[2-(dimethylamino)ethyl]-2-[5-[1-[2-(dimethylamino)ethyl]-5-hydroxyindol-2-yl]-3-pyridinyl]indol-5-ol

C29H33N5O2 — CID 44585295

IUPAC1-[2-(dimethylamino)ethyl]-2-[5-[1-[2-(dimethylamino)ethyl]-5-hydroxyindol-2-yl]-3-pyridinyl]indol-5-ol
SMILESCN(C)CCn1c(-c2cncc(-c3cc4cc(O)ccc4n3CCN(C)C)c2)cc2cc(O)ccc21
InChIInChI=1S/C29H33N5O2/c1-31(2)9-11-33-26-7-5-24(35)14-20(26)16-28(33)22-13-23(19-30-18-22)29-17-21-15-25(36)6-8-27(21)34(29)12-10-32(3)4/h5-8,13-19,35-36H,9-12H2,1-4H3
InChIKeyGUMUZQZBWAAFDY-UHFFFAOYSA-N
MW483.62 g/mol
LogP4.86
Rot. Bonds8

About 1-[2-(dimethylamino)ethyl]-2-[5-[1-[2-(dimethylamino)ethyl]-5-hydroxyindol-2-yl]-3-pyridinyl]indol-5-ol

1-[2-(dimethylamino)ethyl]-2-[5-[1-[2-(dimethylamino)ethyl]-5-hydroxyindol-2-yl]-3-pyridinyl]indol-5-ol (PubChem CID 44585295) has the molecular formula C29H33N5O2 and a molecular weight of 483.62 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-2-[5-[1-[2-(dimethylamino)ethyl]-5-hydroxyindol-2-yl]-3-pyridinyl]indol-5-ol.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-2-[5-[1-[2-(dimethylamino)ethyl]-5-hydroxyindol-2-yl]-3-pyridinyl]indol-5-ol
PubChem CID44585295
Molecular FormulaC29H33N5O2
Molecular Weight483.62 g/mol
Exact Mass483.26
IUPAC Name1-[2-(dimethylamino)ethyl]-2-[5-[1-[2-(dimethylamino)ethyl]-5-hydroxyindol-2-yl]-3-pyridinyl]indol-5-ol
SMILESCN(C)CCn1c(-c2cncc(-c3cc4cc(O)ccc4n3CCN(C)C)c2)cc2cc(O)ccc21
InChIInChI=1S/C29H33N5O2/c1-31(2)9-11-33-26-7-5-24(35)14-20(26)16-28(33)22-13-23(19-30-18-22)29-17-21-15-25(36)6-8-27(21)34(29)12-10-32(3)4/h5-8,13-19,35-36H,9-12H2,1-4H3
InChIKeyGUMUZQZBWAAFDY-UHFFFAOYSA-N
XLogP4.86
TPSA69.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-2-[5-[1-[2-(dimethylamino)ethyl]-5-hydroxyindol-2-yl]-3-pyridinyl]indol-5-ol?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-2-[5-[1-[2-(dimethylamino)ethyl]-5-hydroxyindol-2-yl]-3-pyridinyl]indol-5-ol (CID 44585295) is 1-[2-(dimethylamino)ethyl]-2-[5-[1-[2-(dimethylamino)ethyl]-5-hydroxyindol-2-yl]-3-pyridinyl]indol-5-ol.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-2-[5-[1-[2-(dimethylamino)ethyl]-5-hydroxyindol-2-yl]-3-pyridinyl]indol-5-ol?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-2-[5-[1-[2-(dimethylamino)ethyl]-5-hydroxyindol-2-yl]-3-pyridinyl]indol-5-ol is CN(C)CCn1c(-c2cncc(-c3cc4cc(O)ccc4n3CCN(C)C)c2)cc2cc(O)ccc21.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-2-[5-[1-[2-(dimethylamino)ethyl]-5-hydroxyindol-2-yl]-3-pyridinyl]indol-5-ol?
The InChIKey is GUMUZQZBWAAFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O2/c1-31(2)9-11-33-26-7-5-24(35)14-20(26)16-28(33)22-13-23(19-30-18-22)29-17-21-15-25(36)6-8-27(21)34(29)12-10-32(3)4/h5-8,13-19,35-36H,9-12H2,1-4H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-2-[5-[1-[2-(dimethylamino)ethyl]-5-hydroxyindol-2-yl]-3-pyridinyl]indol-5-ol?
1-[2-(dimethylamino)ethyl]-2-[5-[1-[2-(dimethylamino)ethyl]-5-hydroxyindol-2-yl]-3-pyridinyl]indol-5-ol has a molecular weight of 483.62 g/mol, XLogP of 4.86, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-2-[5-[1-[2-(dimethylamino)ethyl]-5-hydroxyindol-2-yl]-3-pyridinyl]indol-5-ol is sourced from PubChem (CID 44585295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).