3-[(E)-2-[5-[(E)-2-[2-methoxy-4-(pyridin-3-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole

C28H24N4O2 — CID 136598168

IUPAC3-[(E)-2-[5-[(E)-2-[2-methoxy-4-(pyridin-3-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole
SMILESCOc1cc(OCc2cccnc2)ccc1/C=C/c1cc(/C=C/c2c[nH]c3ccccc23)n[nH]1
InChIInChI=1S/C28H24N4O2/c1-33-28-16-25(34-19-20-5-4-14-29-17-20)13-10-21(28)8-11-23-15-24(32-31-23)12-9-22-18-30-27-7-3-2-6-26(22)27/h2-18,30H,19H2,1H3,(H,31,32)/b11-8+,12-9+
InChIKeyICCMTFVDAUQMAJ-HZOWPXDZSA-N
MW448.53 g/mol
LogP6.21
Rot. Bonds8

About 3-[(E)-2-[5-[(E)-2-[2-methoxy-4-(pyridin-3-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole

3-[(E)-2-[5-[(E)-2-[2-methoxy-4-(pyridin-3-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole (PubChem CID 136598168) has the molecular formula C28H24N4O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is 3-[(E)-2-[5-[(E)-2-[2-methoxy-4-(pyridin-3-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole.

Molecular Properties

Compound Name3-[(E)-2-[5-[(E)-2-[2-methoxy-4-(pyridin-3-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole
PubChem CID136598168
Molecular FormulaC28H24N4O2
Molecular Weight448.53 g/mol
Exact Mass448.19
IUPAC Name3-[(E)-2-[5-[(E)-2-[2-methoxy-4-(pyridin-3-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole
SMILESCOc1cc(OCc2cccnc2)ccc1/C=C/c1cc(/C=C/c2c[nH]c3ccccc23)n[nH]1
InChIInChI=1S/C28H24N4O2/c1-33-28-16-25(34-19-20-5-4-14-29-17-20)13-10-21(28)8-11-23-15-24(32-31-23)12-9-22-18-30-27-7-3-2-6-26(22)27/h2-18,30H,19H2,1H3,(H,31,32)/b11-8+,12-9+
InChIKeyICCMTFVDAUQMAJ-HZOWPXDZSA-N
XLogP6.21
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.53
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(E)-2-[5-[(E)-2-[2-methoxy-4-(pyridin-3-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-3-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

Related Compounds

3-[(E)-2-[3-[(E)-2-[3-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-1H-indole
CID 136598170
3-[(E)-2-[3-[(E)-2-[4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-1H-indole
CID 136598154
6-[(E)-2-[5-[(E)-2-[2-methoxy-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-benzimidazole
CID 66571669
5-[(1E,6E)-7-[2-methoxy-4-(pyridin-3-ylmethoxy)phenyl]-3,5-dimethylidenehepta-1,6-dienyl]-1H-indole
CID 126635867
(1E,6E)-7-(1H-indol-3-yl)-1-[2-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-5-methylidenehepta-1,6-dien-3-one
CID 126635711
[2-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 69143790
3-[(7-methoxynaphthalen-2-yl)oxymethyl]pyridine
CID 166203848
3-(2-pyridin-2-ylethenyl)-1H-indole
CID 67252498
[4-[[4-[(E)-2-[3-[(E)-2-(3H-inden-5-yl)ethenyl]-1H-pyrazol-5-yl]ethenyl]-3-methoxyphenoxy]methyl]phenyl]methanol
CID 158489376
(E)-3-(1H-indol-3-yl)-1-(3-phenylmethoxyphenyl)prop-2-en-1-one
CID 171349643
(E)-1-(2,4-dimethoxyphenyl)-3-[2-(pyridin-3-ylmethoxy)phenyl]prop-2-en-1-one
CID 52643113
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-[5-[(E)-2-[2-methoxy-4-(pyridin-3-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole?
The IUPAC name of 3-[(E)-2-[5-[(E)-2-[2-methoxy-4-(pyridin-3-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole (CID 136598168) is 3-[(E)-2-[5-[(E)-2-[2-methoxy-4-(pyridin-3-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole.
What is the SMILES notation for 3-[(E)-2-[5-[(E)-2-[2-methoxy-4-(pyridin-3-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole?
The canonical SMILES for 3-[(E)-2-[5-[(E)-2-[2-methoxy-4-(pyridin-3-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole is COc1cc(OCc2cccnc2)ccc1/C=C/c1cc(/C=C/c2c[nH]c3ccccc23)n[nH]1.
What is the InChIKey of 3-[(E)-2-[5-[(E)-2-[2-methoxy-4-(pyridin-3-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole?
The InChIKey is ICCMTFVDAUQMAJ-HZOWPXDZSA-N. The full InChI is InChI=1S/C28H24N4O2/c1-33-28-16-25(34-19-20-5-4-14-29-17-20)13-10-21(28)8-11-23-15-24(32-31-23)12-9-22-18-30-27-7-3-2-6-26(22)27/h2-18,30H,19H2,1H3,(H,31,32)/b11-8+,12-9+.
What are the key properties of 3-[(E)-2-[5-[(E)-2-[2-methoxy-4-(pyridin-3-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole?
3-[(E)-2-[5-[(E)-2-[2-methoxy-4-(pyridin-3-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole has a molecular weight of 448.53 g/mol, XLogP of 6.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-[5-[(E)-2-[2-methoxy-4-(pyridin-3-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole is sourced from PubChem (CID 136598168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).