3-(2-phenylethenyl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazole

C22H16N4 — CID 91173545

IUPAC3-(2-phenylethenyl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazole
SMILESC(=Cc1n[nH]c2cc(-c3ccnc4[nH]ccc34)ccc12)c1ccccc1
InChIInChI=1S/C22H16N4/c1-2-4-15(5-3-1)6-9-20-19-8-7-16(14-21(19)26-25-20)17-10-12-23-22-18(17)11-13-24-22/h1-14H,(H,23,24)(H,25,26)
InChIKeyZSGPFARIDZROPR-UHFFFAOYSA-N
MW336.40 g/mol
LogP5.28
Rot. Bonds3

About 3-(2-phenylethenyl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazole

3-(2-phenylethenyl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazole (PubChem CID 91173545) has the molecular formula C22H16N4 and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-(2-phenylethenyl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazole.

Molecular Properties

Compound Name3-(2-phenylethenyl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazole
PubChem CID91173545
Molecular FormulaC22H16N4
Molecular Weight336.40 g/mol
Exact Mass336.14
IUPAC Name3-(2-phenylethenyl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazole
SMILESC(=Cc1n[nH]c2cc(-c3ccnc4[nH]ccc34)ccc12)c1ccccc1
InChIInChI=1S/C22H16N4/c1-2-4-15(5-3-1)6-9-20-19-8-7-16(14-21(19)26-25-20)17-10-12-23-22-18(17)11-13-24-22/h1-14H,(H,23,24)(H,25,26)
InChIKeyZSGPFARIDZROPR-UHFFFAOYSA-N
XLogP5.28
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.40
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(2-phenylethenyl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazole 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-(2-phenylethenyl)-6-pyridin-3-yl-1H-indazole
CID 90971721
4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]quinoline
CID 22352423
6-(2-methoxyphenyl)-3-[(E)-2-phenylethenyl]-1H-indazole
CID 174370726
6-(benzenesulfonyl)-3-[(E)-2-phenylethenyl]-1H-indazole
CID 141056052
4-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 57482994
ethane;fluoromethane;3-[(E)-2-phenylethenyl]-1H-indazole
CID 142995649
[3-(methylamino)phenyl]-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone
CID 142037641
1H-indazole;6-(6-methoxy-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole
CID 69371814
4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid
CID 69192349
4-(3-phenyl-4-piperidin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 170449636
6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3,4-dihydro-2H-isoquinolin-1-one
CID 170449822
N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]benzenesulfonamide
CID 172686672

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethenyl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazole?
The IUPAC name of 3-(2-phenylethenyl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazole (CID 91173545) is 3-(2-phenylethenyl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazole.
What is the SMILES notation for 3-(2-phenylethenyl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazole?
The canonical SMILES for 3-(2-phenylethenyl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazole is C(=Cc1n[nH]c2cc(-c3ccnc4[nH]ccc34)ccc12)c1ccccc1.
What is the InChIKey of 3-(2-phenylethenyl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazole?
The InChIKey is ZSGPFARIDZROPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4/c1-2-4-15(5-3-1)6-9-20-19-8-7-16(14-21(19)26-25-20)17-10-12-23-22-18(17)11-13-24-22/h1-14H,(H,23,24)(H,25,26).
What are the key properties of 3-(2-phenylethenyl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazole?
3-(2-phenylethenyl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazole has a molecular weight of 336.40 g/mol, XLogP of 5.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethenyl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazole is sourced from PubChem (CID 91173545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).