5-[(E)-2-[5-[(E)-2-[5-(1,2-dihydropyridin-2-ylmethoxy)-2-methoxyphenyl]ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole

C28H26N4O2 — CID 134527897

IUPAC5-[(E)-2-[5-[(E)-2-[5-(1,2-dihydropyridin-2-ylmethoxy)-2-methoxyphenyl]ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole
SMILESCOc1ccc(OCC2C=CC=CN2)cc1/C=C/c1cc(/C=C/c2ccc3[nH]ccc3c2)n[nH]1
InChIInChI=1S/C28H26N4O2/c1-33-28-12-10-26(34-19-25-4-2-3-14-29-25)17-22(28)7-9-24-18-23(31-32-24)8-5-20-6-11-27-21(16-20)13-15-30-27/h2-18,25,29-30H,19H2,1H3,(H,31,32)/b8-5+,9-7+
InChIKeyLFFMXQPYFPTORB-OCIXRKKMSA-N
MW450.54 g/mol
LogP5.66
Rot. Bonds8

About 5-[(E)-2-[5-[(E)-2-[5-(1,2-dihydropyridin-2-ylmethoxy)-2-methoxyphenyl]ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole

5-[(E)-2-[5-[(E)-2-[5-(1,2-dihydropyridin-2-ylmethoxy)-2-methoxyphenyl]ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole (PubChem CID 134527897) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is 5-[(E)-2-[5-[(E)-2-[5-(1,2-dihydropyridin-2-ylmethoxy)-2-methoxyphenyl]ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole.

Molecular Properties

Compound Name5-[(E)-2-[5-[(E)-2-[5-(1,2-dihydropyridin-2-ylmethoxy)-2-methoxyphenyl]ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole
PubChem CID134527897
Molecular FormulaC28H26N4O2
Molecular Weight450.54 g/mol
Exact Mass450.21
IUPAC Name5-[(E)-2-[5-[(E)-2-[5-(1,2-dihydropyridin-2-ylmethoxy)-2-methoxyphenyl]ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole
SMILESCOc1ccc(OCC2C=CC=CN2)cc1/C=C/c1cc(/C=C/c2ccc3[nH]ccc3c2)n[nH]1
InChIInChI=1S/C28H26N4O2/c1-33-28-12-10-26(34-19-25-4-2-3-14-29-25)17-22(28)7-9-24-18-23(31-32-24)8-5-20-6-11-27-21(16-20)13-15-30-27/h2-18,25,29-30H,19H2,1H3,(H,31,32)/b8-5+,9-7+
InChIKeyLFFMXQPYFPTORB-OCIXRKKMSA-N
XLogP5.66
TPSA74.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 55.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(E)-2-[5-[(E)-2-(1H-indol-5-yl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-2-(pyridin-2-ylmethoxy)phenyl]methanol
CID 89095568
N,N-diethyl-4-[(E)-2-[3-[(E)-2-(1H-indol-6-yl)ethenyl]-1H-pyrazol-5-yl]ethenyl]-3-methoxyaniline
CID 89095512
6-[(E)-2-[5-[(E)-2-[2-methoxy-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-benzimidazole
CID 66571669
2-(hydroxymethyl)-6-[4-[(E)-2-[3-[(E)-2-(1H-indol-6-yl)ethenyl]-1H-pyrazol-5-yl]ethenyl]-3-methoxyphenoxy]oxan-4-ol
CID 134255159
1-(1H-indol-5-yl)-7-[2-methoxy-4-(pyridin-2-ylmethoxy)phenyl]hepta-1,6-diene-3,5-dione
CID 142718875
[4-[[4-[(E)-2-[3-[(E)-2-(3H-inden-5-yl)ethenyl]-1H-pyrazol-5-yl]ethenyl]-3-methoxyphenoxy]methyl]phenyl]methanol
CID 158489376
5-[(1E,6E)-7-[2-methoxy-4-(pyridin-3-ylmethoxy)phenyl]-3,5-dimethylidenehepta-1,6-dienyl]-1H-indole
CID 126635867
(E)-3-(5-methoxy-1H-indol-6-yl)prop-2-en-1-amine
CID 117290958
6-[(E)-2-[5-[(E)-2-(4-phenylphenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole
CID 89095578
2-methoxy-4-[(E)-2-[5-[(E)-2-phenylethenyl]-1H-pyrazol-3-yl]ethenyl]phenol
CID 135453214
4-[(E)-2-[5-[(E)-2-(2,4-difluorophenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-2-methoxyphenol
CID 135453075
6-[(E)-2-[5-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole
CID 89095577

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[5-[(E)-2-[5-(1,2-dihydropyridin-2-ylmethoxy)-2-methoxyphenyl]ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole?
The IUPAC name of 5-[(E)-2-[5-[(E)-2-[5-(1,2-dihydropyridin-2-ylmethoxy)-2-methoxyphenyl]ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole (CID 134527897) is 5-[(E)-2-[5-[(E)-2-[5-(1,2-dihydropyridin-2-ylmethoxy)-2-methoxyphenyl]ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole.
What is the SMILES notation for 5-[(E)-2-[5-[(E)-2-[5-(1,2-dihydropyridin-2-ylmethoxy)-2-methoxyphenyl]ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole?
The canonical SMILES for 5-[(E)-2-[5-[(E)-2-[5-(1,2-dihydropyridin-2-ylmethoxy)-2-methoxyphenyl]ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole is COc1ccc(OCC2C=CC=CN2)cc1/C=C/c1cc(/C=C/c2ccc3[nH]ccc3c2)n[nH]1.
What is the InChIKey of 5-[(E)-2-[5-[(E)-2-[5-(1,2-dihydropyridin-2-ylmethoxy)-2-methoxyphenyl]ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole?
The InChIKey is LFFMXQPYFPTORB-OCIXRKKMSA-N. The full InChI is InChI=1S/C28H26N4O2/c1-33-28-12-10-26(34-19-25-4-2-3-14-29-25)17-22(28)7-9-24-18-23(31-32-24)8-5-20-6-11-27-21(16-20)13-15-30-27/h2-18,25,29-30H,19H2,1H3,(H,31,32)/b8-5+,9-7+.
What are the key properties of 5-[(E)-2-[5-[(E)-2-[5-(1,2-dihydropyridin-2-ylmethoxy)-2-methoxyphenyl]ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole?
5-[(E)-2-[5-[(E)-2-[5-(1,2-dihydropyridin-2-ylmethoxy)-2-methoxyphenyl]ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole has a molecular weight of 450.54 g/mol, XLogP of 5.66, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[5-[(E)-2-[5-(1,2-dihydropyridin-2-ylmethoxy)-2-methoxyphenyl]ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole is sourced from PubChem (CID 134527897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).