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

C31H37N5O2 — CID 44585296

IUPAC1-[3-(dimethylamino)propyl]-2-[5-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-2-yl]-3-pyridinyl]indol-5-ol
SMILESCN(C)CCCn1c(-c2cncc(-c3cc4cc(O)ccc4n3CCCN(C)C)c2)cc2cc(O)ccc21
InChIInChI=1S/C31H37N5O2/c1-33(2)11-5-13-35-28-9-7-26(37)16-22(28)18-30(35)24-15-25(21-32-20-24)31-19-23-17-27(38)8-10-29(23)36(31)14-6-12-34(3)4/h7-10,15-21,37-38H,5-6,11-14H2,1-4H3
InChIKeyVPLFRFDOPHVRPS-UHFFFAOYSA-N
MW511.67 g/mol
LogP5.64
Rot. Bonds10

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

1-[3-(dimethylamino)propyl]-2-[5-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-2-yl]-3-pyridinyl]indol-5-ol (PubChem CID 44585296) has the molecular formula C31H37N5O2 and a molecular weight of 511.67 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-2-[5-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-2-yl]-3-pyridinyl]indol-5-ol.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-2-[5-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-2-yl]-3-pyridinyl]indol-5-ol
PubChem CID44585296
Molecular FormulaC31H37N5O2
Molecular Weight511.67 g/mol
Exact Mass511.29
IUPAC Name1-[3-(dimethylamino)propyl]-2-[5-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-2-yl]-3-pyridinyl]indol-5-ol
SMILESCN(C)CCCn1c(-c2cncc(-c3cc4cc(O)ccc4n3CCCN(C)C)c2)cc2cc(O)ccc21
InChIInChI=1S/C31H37N5O2/c1-33(2)11-5-13-35-28-9-7-26(37)16-22(28)18-30(35)24-15-25(21-32-20-24)31-19-23-17-27(38)8-10-29(23)36(31)14-6-12-34(3)4/h7-10,15-21,37-38H,5-6,11-14H2,1-4H3
InChIKeyVPLFRFDOPHVRPS-UHFFFAOYSA-N
XLogP5.64
TPSA69.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.67
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-2-[5-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-2-yl]-3-pyridinyl]indol-5-ol?
The IUPAC name of 1-[3-(dimethylamino)propyl]-2-[5-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-2-yl]-3-pyridinyl]indol-5-ol (CID 44585296) is 1-[3-(dimethylamino)propyl]-2-[5-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-2-yl]-3-pyridinyl]indol-5-ol.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-2-[5-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-2-yl]-3-pyridinyl]indol-5-ol?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-2-[5-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-2-yl]-3-pyridinyl]indol-5-ol is CN(C)CCCn1c(-c2cncc(-c3cc4cc(O)ccc4n3CCCN(C)C)c2)cc2cc(O)ccc21.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-2-[5-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-2-yl]-3-pyridinyl]indol-5-ol?
The InChIKey is VPLFRFDOPHVRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N5O2/c1-33(2)11-5-13-35-28-9-7-26(37)16-22(28)18-30(35)24-15-25(21-32-20-24)31-19-23-17-27(38)8-10-29(23)36(31)14-6-12-34(3)4/h7-10,15-21,37-38H,5-6,11-14H2,1-4H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-2-[5-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-2-yl]-3-pyridinyl]indol-5-ol?
1-[3-(dimethylamino)propyl]-2-[5-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-2-yl]-3-pyridinyl]indol-5-ol has a molecular weight of 511.67 g/mol, XLogP of 5.64, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-2-[5-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-2-yl]-3-pyridinyl]indol-5-ol is sourced from PubChem (CID 44585296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).