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

C27H22N4O — CID 136598154

IUPAC3-[(E)-2-[3-[(E)-2-[4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-1H-indole
SMILESC(=C/c1cc(/C=C/c2c[nH]c3ccccc23)[nH]n1)\c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C27H22N4O/c1-2-7-27-26(6-1)21(18-29-27)11-13-23-17-22(30-31-23)12-8-20-9-14-25(15-10-20)32-19-24-5-3-4-16-28-24/h1-18,29H,19H2,(H,30,31)/b12-8+,13-11+
InChIKeyZTQMNRZSWDPINB-UHSWXSRBSA-N
MW418.50 g/mol
LogP6.21
Rot. Bonds7

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

3-[(E)-2-[3-[(E)-2-[4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-1H-indole (PubChem CID 136598154) has the molecular formula C27H22N4O and a molecular weight of 418.50 g/mol. Its IUPAC name is 3-[(E)-2-[3-[(E)-2-[4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-1H-indole.

Molecular Properties

Compound Name3-[(E)-2-[3-[(E)-2-[4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-1H-indole
PubChem CID136598154
Molecular FormulaC27H22N4O
Molecular Weight418.50 g/mol
Exact Mass418.18
IUPAC Name3-[(E)-2-[3-[(E)-2-[4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-1H-indole
SMILESC(=C/c1cc(/C=C/c2c[nH]c3ccccc23)[nH]n1)\c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C27H22N4O/c1-2-7-27-26(6-1)21(18-29-27)11-13-23-17-22(30-31-23)12-8-20-9-14-25(15-10-20)32-19-24-5-3-4-16-28-24/h1-18,29H,19H2,(H,30,31)/b12-8+,13-11+
InChIKeyZTQMNRZSWDPINB-UHSWXSRBSA-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

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Related Compounds

3-[(E)-2-[3-[(E)-2-[3-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-1H-indole
CID 136598170
6-[(E)-2-[5-[(E)-2-[2-methoxy-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-benzimidazole
CID 66571669
3-[(E)-2-[5-[(E)-2-[2-methoxy-4-(pyridin-3-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole
CID 136598168
3-(2-pyridin-2-ylethenyl)-1H-indole
CID 67252498
[5-[(E)-2-[5-[(E)-2-(1H-indol-5-yl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-2-(pyridin-2-ylmethoxy)phenyl]methanol
CID 89095568
(1E,6E)-7-(1H-indol-3-yl)-1-[2-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-5-methylidenehepta-1,6-dien-3-one
CID 126635711
(1E,6E)-1-(1H-indol-3-yl)-7-[3-[[6-[3-[(1E,6E)-7-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]-3,5-dioxohepta-1,6-dienyl]-1H-indol-6-yl]-2-pyridinyl]methoxy]phenyl]hepta-1,6-diene-3,5-dione
CID 126635716
4-[(Z)-2-(1H-indol-3-yl)ethenyl]quinoline
CID 54609523
2-[[4-(tetrazol-1-yl)phenoxy]methyl]pyridine
CID 16764721
7-[(E)-2-[3-[(E)-2-[2-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-4,7-dihydro-1H-cyclohepta[b]pyridine
CID 134527848
(E)-3-[4-(pyridin-2-ylmethoxy)phenyl]-N-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enamide
CID 46575969
(E)-N-[2-(benzylamino)-2-oxoethyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 55676181

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-[3-[(E)-2-[4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-1H-indole?
The IUPAC name of 3-[(E)-2-[3-[(E)-2-[4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-1H-indole (CID 136598154) is 3-[(E)-2-[3-[(E)-2-[4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-1H-indole.
What is the SMILES notation for 3-[(E)-2-[3-[(E)-2-[4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-1H-indole?
The canonical SMILES for 3-[(E)-2-[3-[(E)-2-[4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-1H-indole is C(=C/c1cc(/C=C/c2c[nH]c3ccccc23)[nH]n1)\c1ccc(OCc2ccccn2)cc1.
What is the InChIKey of 3-[(E)-2-[3-[(E)-2-[4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-1H-indole?
The InChIKey is ZTQMNRZSWDPINB-UHSWXSRBSA-N. The full InChI is InChI=1S/C27H22N4O/c1-2-7-27-26(6-1)21(18-29-27)11-13-23-17-22(30-31-23)12-8-20-9-14-25(15-10-20)32-19-24-5-3-4-16-28-24/h1-18,29H,19H2,(H,30,31)/b12-8+,13-11+.
What are the key properties of 3-[(E)-2-[3-[(E)-2-[4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-1H-indole?
3-[(E)-2-[3-[(E)-2-[4-(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-[4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-1H-indole is sourced from PubChem (CID 136598154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).