2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]-1-[3-(dimethylamino)propyl]indol-5-ol

C28H34N4O2 — CID 44560333

IUPAC2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]-1-[3-(dimethylamino)propyl]indol-5-ol
SMILESCN(C)CCCn1c(-c2cncc(-c3ccc(OCCN(C)C)cc3)c2)cc2cc(O)ccc21
InChIInChI=1S/C28H34N4O2/c1-30(2)12-5-13-32-27-11-8-25(33)17-22(27)18-28(32)24-16-23(19-29-20-24)21-6-9-26(10-7-21)34-15-14-31(3)4/h6-11,16-20,33H,5,12-15H2,1-4H3
InChIKeyWHXCXVCUMWLJTQ-UHFFFAOYSA-N
MW458.61 g/mol
LogP4.97
Rot. Bonds10

About 2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]-1-[3-(dimethylamino)propyl]indol-5-ol

2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]-1-[3-(dimethylamino)propyl]indol-5-ol (PubChem CID 44560333) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is 2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]-1-[3-(dimethylamino)propyl]indol-5-ol.

Molecular Properties

Compound Name2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]-1-[3-(dimethylamino)propyl]indol-5-ol
PubChem CID44560333
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC Name2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]-1-[3-(dimethylamino)propyl]indol-5-ol
SMILESCN(C)CCCn1c(-c2cncc(-c3ccc(OCCN(C)C)cc3)c2)cc2cc(O)ccc21
InChIInChI=1S/C28H34N4O2/c1-30(2)12-5-13-32-27-11-8-25(33)17-22(27)18-28(32)24-16-23(19-29-20-24)21-6-9-26(10-7-21)34-15-14-31(3)4/h6-11,16-20,33H,5,12-15H2,1-4H3
InChIKeyWHXCXVCUMWLJTQ-UHFFFAOYSA-N
XLogP4.97
TPSA53.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]-1-[3-(dimethylamino)propyl]indol-5-ol?
The IUPAC name of 2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]-1-[3-(dimethylamino)propyl]indol-5-ol (CID 44560333) is 2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]-1-[3-(dimethylamino)propyl]indol-5-ol.
What is the SMILES notation for 2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]-1-[3-(dimethylamino)propyl]indol-5-ol?
The canonical SMILES for 2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]-1-[3-(dimethylamino)propyl]indol-5-ol is CN(C)CCCn1c(-c2cncc(-c3ccc(OCCN(C)C)cc3)c2)cc2cc(O)ccc21.
What is the InChIKey of 2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]-1-[3-(dimethylamino)propyl]indol-5-ol?
The InChIKey is WHXCXVCUMWLJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-30(2)12-5-13-32-27-11-8-25(33)17-22(27)18-28(32)24-16-23(19-29-20-24)21-6-9-26(10-7-21)34-15-14-31(3)4/h6-11,16-20,33H,5,12-15H2,1-4H3.
What are the key properties of 2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]-1-[3-(dimethylamino)propyl]indol-5-ol?
2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]-1-[3-(dimethylamino)propyl]indol-5-ol has a molecular weight of 458.61 g/mol, XLogP of 4.97, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]-1-[3-(dimethylamino)propyl]indol-5-ol is sourced from PubChem (CID 44560333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).