3-[(E)-2-[3-[(E)-2-[3-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-1H-indole

C27H22N4O — CID 136598170

IUPAC3-[(E)-2-[3-[(E)-2-[3-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-1H-indole
SMILESC(=C/c1cc(/C=C/c2c[nH]c3ccccc23)[nH]n1)\c1cccc(OCc2ccccn2)c1
InChIInChI=1S/C27H22N4O/c1-2-10-27-26(9-1)21(18-29-27)12-14-23-17-22(30-31-23)13-11-20-6-5-8-25(16-20)32-19-24-7-3-4-15-28-24/h1-18,29H,19H2,(H,30,31)/b13-11+,14-12+
InChIKeyCLKRUZIHPAQKFP-PHEQNACWSA-N
MW418.50 g/mol
LogP6.21
Rot. Bonds7

About 3-[(E)-2-[3-[(E)-2-[3-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-1H-indole

3-[(E)-2-[3-[(E)-2-[3-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-1H-indole (PubChem CID 136598170) has the molecular formula C27H22N4O and a molecular weight of 418.50 g/mol. Its IUPAC name is 3-[(E)-2-[3-[(E)-2-[3-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-1H-indole.

Molecular Properties

Compound Name3-[(E)-2-[3-[(E)-2-[3-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-1H-indole
PubChem CID136598170
Molecular FormulaC27H22N4O
Molecular Weight418.50 g/mol
Exact Mass418.18
IUPAC Name3-[(E)-2-[3-[(E)-2-[3-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-1H-indole
SMILESC(=C/c1cc(/C=C/c2c[nH]c3ccccc23)[nH]n1)\c1cccc(OCc2ccccn2)c1
InChIInChI=1S/C27H22N4O/c1-2-10-27-26(9-1)21(18-29-27)12-14-23-17-22(30-31-23)13-11-20-6-5-8-25(16-20)32-19-24-7-3-4-15-28-24/h1-18,29H,19H2,(H,30,31)/b13-11+,14-12+
InChIKeyCLKRUZIHPAQKFP-PHEQNACWSA-N
XLogP6.21
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(E)-2-[3-[(E)-2-[3-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-1H-indole 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 3-[(E)-2-[3-[(E)-2-[3-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-1H-indole?
The IUPAC name of 3-[(E)-2-[3-[(E)-2-[3-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-1H-indole (CID 136598170) is 3-[(E)-2-[3-[(E)-2-[3-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-1H-indole.
What is the SMILES notation for 3-[(E)-2-[3-[(E)-2-[3-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-1H-indole?
The canonical SMILES for 3-[(E)-2-[3-[(E)-2-[3-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-1H-indole is C(=C/c1cc(/C=C/c2c[nH]c3ccccc23)[nH]n1)\c1cccc(OCc2ccccn2)c1.
What is the InChIKey of 3-[(E)-2-[3-[(E)-2-[3-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-1H-indole?
The InChIKey is CLKRUZIHPAQKFP-PHEQNACWSA-N. The full InChI is InChI=1S/C27H22N4O/c1-2-10-27-26(9-1)21(18-29-27)12-14-23-17-22(30-31-23)13-11-20-6-5-8-25(16-20)32-19-24-7-3-4-15-28-24/h1-18,29H,19H2,(H,30,31)/b13-11+,14-12+.
What are the key properties of 3-[(E)-2-[3-[(E)-2-[3-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-1H-indole?
3-[(E)-2-[3-[(E)-2-[3-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-1H-indole has a molecular weight of 418.50 g/mol, XLogP of 6.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-[3-[(E)-2-[3-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-1H-indole is sourced from PubChem (CID 136598170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).