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

C28H34N4O2 — CID 44560330

IUPAC1-[2-(dimethylamino)ethyl]-2-[5-[4-[3-(dimethylamino)propoxy]phenyl]-3-pyridinyl]indol-5-ol
SMILESCN(C)CCCOc1ccc(-c2cncc(-c3cc4cc(O)ccc4n3CCN(C)C)c2)cc1
InChIInChI=1S/C28H34N4O2/c1-30(2)12-5-15-34-26-9-6-21(7-10-26)23-16-24(20-29-19-23)28-18-22-17-25(33)8-11-27(22)32(28)14-13-31(3)4/h6-11,16-20,33H,5,12-15H2,1-4H3
InChIKeyQPQQZFIQRQRITC-UHFFFAOYSA-N
MW458.61 g/mol
LogP4.97
Rot. Bonds10

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

1-[2-(dimethylamino)ethyl]-2-[5-[4-[3-(dimethylamino)propoxy]phenyl]-3-pyridinyl]indol-5-ol (PubChem CID 44560330) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-2-[5-[4-[3-(dimethylamino)propoxy]phenyl]-3-pyridinyl]indol-5-ol.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-2-[5-[4-[3-(dimethylamino)propoxy]phenyl]-3-pyridinyl]indol-5-ol
PubChem CID44560330
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC Name1-[2-(dimethylamino)ethyl]-2-[5-[4-[3-(dimethylamino)propoxy]phenyl]-3-pyridinyl]indol-5-ol
SMILESCN(C)CCCOc1ccc(-c2cncc(-c3cc4cc(O)ccc4n3CCN(C)C)c2)cc1
InChIInChI=1S/C28H34N4O2/c1-30(2)12-5-15-34-26-9-6-21(7-10-26)23-16-24(20-29-19-23)28-18-22-17-25(33)8-11-27(22)32(28)14-13-31(3)4/h6-11,16-20,33H,5,12-15H2,1-4H3
InChIKeyQPQQZFIQRQRITC-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-2-[5-[4-[3-(dimethylamino)propoxy]phenyl]-3-pyridinyl]indol-5-ol?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-2-[5-[4-[3-(dimethylamino)propoxy]phenyl]-3-pyridinyl]indol-5-ol (CID 44560330) is 1-[2-(dimethylamino)ethyl]-2-[5-[4-[3-(dimethylamino)propoxy]phenyl]-3-pyridinyl]indol-5-ol.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-2-[5-[4-[3-(dimethylamino)propoxy]phenyl]-3-pyridinyl]indol-5-ol?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-2-[5-[4-[3-(dimethylamino)propoxy]phenyl]-3-pyridinyl]indol-5-ol is CN(C)CCCOc1ccc(-c2cncc(-c3cc4cc(O)ccc4n3CCN(C)C)c2)cc1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-2-[5-[4-[3-(dimethylamino)propoxy]phenyl]-3-pyridinyl]indol-5-ol?
The InChIKey is QPQQZFIQRQRITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-30(2)12-5-15-34-26-9-6-21(7-10-26)23-16-24(20-29-19-23)28-18-22-17-25(33)8-11-27(22)32(28)14-13-31(3)4/h6-11,16-20,33H,5,12-15H2,1-4H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-2-[5-[4-[3-(dimethylamino)propoxy]phenyl]-3-pyridinyl]indol-5-ol?
1-[2-(dimethylamino)ethyl]-2-[5-[4-[3-(dimethylamino)propoxy]phenyl]-3-pyridinyl]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 1-[2-(dimethylamino)ethyl]-2-[5-[4-[3-(dimethylamino)propoxy]phenyl]-3-pyridinyl]indol-5-ol is sourced from PubChem (CID 44560330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).