3-(2-phenylethenyl)-6-pyridin-3-yl-1H-indazole

C20H15N3 — CID 90971721

IUPAC3-(2-phenylethenyl)-6-pyridin-3-yl-1H-indazole
SMILESC(=Cc1n[nH]c2cc(-c3cccnc3)ccc12)c1ccccc1
InChIInChI=1S/C20H15N3/c1-2-5-15(6-3-1)8-11-19-18-10-9-16(13-20(18)23-22-19)17-7-4-12-21-14-17/h1-14H,(H,22,23)
InChIKeyOTPYKBFGSVVMDW-UHFFFAOYSA-N
MW297.36 g/mol
LogP4.80
Rot. Bonds3

About 3-(2-phenylethenyl)-6-pyridin-3-yl-1H-indazole

3-(2-phenylethenyl)-6-pyridin-3-yl-1H-indazole (PubChem CID 90971721) has the molecular formula C20H15N3 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-(2-phenylethenyl)-6-pyridin-3-yl-1H-indazole.

Molecular Properties

Compound Name3-(2-phenylethenyl)-6-pyridin-3-yl-1H-indazole
PubChem CID90971721
Molecular FormulaC20H15N3
Molecular Weight297.36 g/mol
Exact Mass297.13
IUPAC Name3-(2-phenylethenyl)-6-pyridin-3-yl-1H-indazole
SMILESC(=Cc1n[nH]c2cc(-c3cccnc3)ccc12)c1ccccc1
InChIInChI=1S/C20H15N3/c1-2-5-15(6-3-1)8-11-19-18-10-9-16(13-20(18)23-22-19)17-7-4-12-21-14-17/h1-14H,(H,22,23)
InChIKeyOTPYKBFGSVVMDW-UHFFFAOYSA-N
XLogP4.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-phenylethenyl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazole
CID 91173545
6-(2-methoxyphenyl)-3-[(E)-2-phenylethenyl]-1H-indazole
CID 174370726
1H-indazole;6-(6-methoxy-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole
CID 69371814
6-fluoro-3-(2-pyridin-3-ylethenyl)-1H-indazol-5-amine
CID 68933883
ethane;fluoromethane;3-[(E)-2-phenylethenyl]-1H-indazole
CID 142995649
2-pyridin-3-yl-9H-carbazole
CID 175799429
2,7-bis(3-pyridin-3-ylphenyl)-9H-carbazole
CID 142715310
5-prop-1-enyl-3-(2-pyridin-3-ylethenyl)-1H-indazole
CID 77471558
5-pyridin-3-yl-1H-indazol-3-amine
CID 59023862
(2'S,3R)-2'-[3-(2-pyridin-3-ylethenyl)-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 67449518
4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]quinoline
CID 22352423
(E)-3-[3-(2-pyridin-3-ylethenyl)-1H-indazol-5-yl]prop-2-en-1-ol
CID 123780561

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethenyl)-6-pyridin-3-yl-1H-indazole?
The IUPAC name of 3-(2-phenylethenyl)-6-pyridin-3-yl-1H-indazole (CID 90971721) is 3-(2-phenylethenyl)-6-pyridin-3-yl-1H-indazole.
What is the SMILES notation for 3-(2-phenylethenyl)-6-pyridin-3-yl-1H-indazole?
The canonical SMILES for 3-(2-phenylethenyl)-6-pyridin-3-yl-1H-indazole is C(=Cc1n[nH]c2cc(-c3cccnc3)ccc12)c1ccccc1.
What is the InChIKey of 3-(2-phenylethenyl)-6-pyridin-3-yl-1H-indazole?
The InChIKey is OTPYKBFGSVVMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3/c1-2-5-15(6-3-1)8-11-19-18-10-9-16(13-20(18)23-22-19)17-7-4-12-21-14-17/h1-14H,(H,22,23).
What are the key properties of 3-(2-phenylethenyl)-6-pyridin-3-yl-1H-indazole?
3-(2-phenylethenyl)-6-pyridin-3-yl-1H-indazole has a molecular weight of 297.36 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethenyl)-6-pyridin-3-yl-1H-indazole is sourced from PubChem (CID 90971721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).