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

C29H36N4O2 — CID 44560334

IUPAC2-[5-[4-[3-(dimethylamino)propoxy]phenyl]-3-pyridinyl]-1-[3-(dimethylamino)propyl]indol-5-ol
SMILESCN(C)CCCOc1ccc(-c2cncc(-c3cc4cc(O)ccc4n3CCCN(C)C)c2)cc1
InChIInChI=1S/C29H36N4O2/c1-31(2)13-5-15-33-28-12-9-26(34)18-23(28)19-29(33)25-17-24(20-30-21-25)22-7-10-27(11-8-22)35-16-6-14-32(3)4/h7-12,17-21,34H,5-6,13-16H2,1-4H3
InChIKeyDXMKALRYQZBZIA-UHFFFAOYSA-N
MW472.63 g/mol
LogP5.36
Rot. Bonds11

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

2-[5-[4-[3-(dimethylamino)propoxy]phenyl]-3-pyridinyl]-1-[3-(dimethylamino)propyl]indol-5-ol (PubChem CID 44560334) has the molecular formula C29H36N4O2 and a molecular weight of 472.63 g/mol. Its IUPAC name is 2-[5-[4-[3-(dimethylamino)propoxy]phenyl]-3-pyridinyl]-1-[3-(dimethylamino)propyl]indol-5-ol.

Molecular Properties

Compound Name2-[5-[4-[3-(dimethylamino)propoxy]phenyl]-3-pyridinyl]-1-[3-(dimethylamino)propyl]indol-5-ol
PubChem CID44560334
Molecular FormulaC29H36N4O2
Molecular Weight472.63 g/mol
Exact Mass472.28
IUPAC Name2-[5-[4-[3-(dimethylamino)propoxy]phenyl]-3-pyridinyl]-1-[3-(dimethylamino)propyl]indol-5-ol
SMILESCN(C)CCCOc1ccc(-c2cncc(-c3cc4cc(O)ccc4n3CCCN(C)C)c2)cc1
InChIInChI=1S/C29H36N4O2/c1-31(2)13-5-15-33-28-12-9-26(34)18-23(28)19-29(33)25-17-24(20-30-21-25)22-7-10-27(11-8-22)35-16-6-14-32(3)4/h7-12,17-21,34H,5-6,13-16H2,1-4H3
InChIKeyDXMKALRYQZBZIA-UHFFFAOYSA-N
XLogP5.36
TPSA53.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.63
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[5-[4-[3-(dimethylamino)propoxy]phenyl]-3-pyridinyl]-1-[3-(dimethylamino)propyl]indol-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-[3-(dimethylamino)propoxy]phenyl]-3-pyridinyl]-1-[3-(dimethylamino)propyl]indol-5-ol?
The IUPAC name of 2-[5-[4-[3-(dimethylamino)propoxy]phenyl]-3-pyridinyl]-1-[3-(dimethylamino)propyl]indol-5-ol (CID 44560334) is 2-[5-[4-[3-(dimethylamino)propoxy]phenyl]-3-pyridinyl]-1-[3-(dimethylamino)propyl]indol-5-ol.
What is the SMILES notation for 2-[5-[4-[3-(dimethylamino)propoxy]phenyl]-3-pyridinyl]-1-[3-(dimethylamino)propyl]indol-5-ol?
The canonical SMILES for 2-[5-[4-[3-(dimethylamino)propoxy]phenyl]-3-pyridinyl]-1-[3-(dimethylamino)propyl]indol-5-ol is CN(C)CCCOc1ccc(-c2cncc(-c3cc4cc(O)ccc4n3CCCN(C)C)c2)cc1.
What is the InChIKey of 2-[5-[4-[3-(dimethylamino)propoxy]phenyl]-3-pyridinyl]-1-[3-(dimethylamino)propyl]indol-5-ol?
The InChIKey is DXMKALRYQZBZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O2/c1-31(2)13-5-15-33-28-12-9-26(34)18-23(28)19-29(33)25-17-24(20-30-21-25)22-7-10-27(11-8-22)35-16-6-14-32(3)4/h7-12,17-21,34H,5-6,13-16H2,1-4H3.
What are the key properties of 2-[5-[4-[3-(dimethylamino)propoxy]phenyl]-3-pyridinyl]-1-[3-(dimethylamino)propyl]indol-5-ol?
2-[5-[4-[3-(dimethylamino)propoxy]phenyl]-3-pyridinyl]-1-[3-(dimethylamino)propyl]indol-5-ol has a molecular weight of 472.63 g/mol, XLogP of 5.36, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-[3-(dimethylamino)propoxy]phenyl]-3-pyridinyl]-1-[3-(dimethylamino)propyl]indol-5-ol is sourced from PubChem (CID 44560334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).