3-[(E)-2-(4-chlorophenyl)ethenyl]-6-pyridin-4-yl-1H-indazole

C20H14ClN3 — CID 22978130

IUPAC3-[(E)-2-(4-chlorophenyl)ethenyl]-6-pyridin-4-yl-1H-indazole
SMILESClc1ccc(/C=C/c2n[nH]c3cc(-c4ccncc4)ccc23)cc1
InChIInChI=1S/C20H14ClN3/c21-17-5-1-14(2-6-17)3-8-19-18-7-4-16(13-20(18)24-23-19)15-9-11-22-12-10-15/h1-13H,(H,23,24)/b8-3+
InChIKeyAOGKQABBUOAKFC-FPYGCLRLSA-N
MW331.81 g/mol
LogP5.45
Rot. Bonds3

About 3-[(E)-2-(4-chlorophenyl)ethenyl]-6-pyridin-4-yl-1H-indazole

3-[(E)-2-(4-chlorophenyl)ethenyl]-6-pyridin-4-yl-1H-indazole (PubChem CID 22978130) has the molecular formula C20H14ClN3 and a molecular weight of 331.81 g/mol. Its IUPAC name is 3-[(E)-2-(4-chlorophenyl)ethenyl]-6-pyridin-4-yl-1H-indazole.

Molecular Properties

Compound Name3-[(E)-2-(4-chlorophenyl)ethenyl]-6-pyridin-4-yl-1H-indazole
PubChem CID22978130
Molecular FormulaC20H14ClN3
Molecular Weight331.81 g/mol
Exact Mass331.09
IUPAC Name3-[(E)-2-(4-chlorophenyl)ethenyl]-6-pyridin-4-yl-1H-indazole
SMILESClc1ccc(/C=C/c2n[nH]c3cc(-c4ccncc4)ccc23)cc1
InChIInChI=1S/C20H14ClN3/c21-17-5-1-14(2-6-17)3-8-19-18-7-4-16(13-20(18)24-23-19)15-9-11-22-12-10-15/h1-13H,(H,23,24)/b8-3+
InChIKeyAOGKQABBUOAKFC-FPYGCLRLSA-N
XLogP5.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.81
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-pyridin-4-yl-1H-indazole
CID 12412578
N-(4-pyridinyl)-1H-indol-1-amine
CID 3081186
4-(3-methylpyridin-4-yl)-6-(trifluoromethyl)-1H-indazole
CID 71735206
N-(5,6-dichloro-3-pyridinyl)-1-(1H-indazol-5-yl)methanimine
CID 77844771
7-Chloro-1,2,4,5-tetrahydropyrazolo[3,4-a]carbazole
CID 829981
3-(6-chloropyridazin-3-yl)-1H-indole
CID 2763611
6-[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]-1H-indazole
CID 25093328
3-phenyl-5-(pyridin-4-yl)-1H-indazole
CID 9878588
2-[[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]amino]benzonitrile
CID 168279642
4-(3-phenyl-1H-pyrazol-4-yl)quinoline
CID 3539049
7-Chloro-2-(4-fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9858407
2-[4-chlorophenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 9945516

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-chlorophenyl)ethenyl]-6-pyridin-4-yl-1H-indazole?
The IUPAC name of 3-[(E)-2-(4-chlorophenyl)ethenyl]-6-pyridin-4-yl-1H-indazole (CID 22978130) is 3-[(E)-2-(4-chlorophenyl)ethenyl]-6-pyridin-4-yl-1H-indazole.
What is the SMILES notation for 3-[(E)-2-(4-chlorophenyl)ethenyl]-6-pyridin-4-yl-1H-indazole?
The canonical SMILES for 3-[(E)-2-(4-chlorophenyl)ethenyl]-6-pyridin-4-yl-1H-indazole is Clc1ccc(/C=C/c2n[nH]c3cc(-c4ccncc4)ccc23)cc1.
What is the InChIKey of 3-[(E)-2-(4-chlorophenyl)ethenyl]-6-pyridin-4-yl-1H-indazole?
The InChIKey is AOGKQABBUOAKFC-FPYGCLRLSA-N. The full InChI is InChI=1S/C20H14ClN3/c21-17-5-1-14(2-6-17)3-8-19-18-7-4-16(13-20(18)24-23-19)15-9-11-22-12-10-15/h1-13H,(H,23,24)/b8-3+.
What are the key properties of 3-[(E)-2-(4-chlorophenyl)ethenyl]-6-pyridin-4-yl-1H-indazole?
3-[(E)-2-(4-chlorophenyl)ethenyl]-6-pyridin-4-yl-1H-indazole has a molecular weight of 331.81 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-chlorophenyl)ethenyl]-6-pyridin-4-yl-1H-indazole is sourced from PubChem (CID 22978130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).