2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]-N-quinolin-5-ylbenzamide

C30H21N5OS — CID 134155217

IUPAC2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]-N-quinolin-5-ylbenzamide
SMILESO=C(Nc1cccc2ncccc12)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
InChIInChI=1S/C30H21N5OS/c36-30(33-26-11-5-10-25-22(26)9-6-18-32-25)24-8-1-2-12-29(24)37-21-14-15-23-27(34-35-28(23)19-21)16-13-20-7-3-4-17-31-20/h1-19H,(H,33,36)(H,34,35)/b16-13+
InChIKeyCILWUEUFUBHTKY-DTQAZKPQSA-N
MW499.60 g/mol
LogP7.08
Rot. Bonds6

About 2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]-N-quinolin-5-ylbenzamide

2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]-N-quinolin-5-ylbenzamide (PubChem CID 134155217) has the molecular formula C30H21N5OS and a molecular weight of 499.60 g/mol. Its IUPAC name is 2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]-N-quinolin-5-ylbenzamide.

Molecular Properties

Compound Name2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]-N-quinolin-5-ylbenzamide
PubChem CID134155217
Molecular FormulaC30H21N5OS
Molecular Weight499.60 g/mol
Exact Mass499.15
IUPAC Name2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]-N-quinolin-5-ylbenzamide
SMILESO=C(Nc1cccc2ncccc12)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
InChIInChI=1S/C30H21N5OS/c36-30(33-26-11-5-10-25-22(26)9-6-18-32-25)24-8-1-2-12-29(24)37-21-14-15-23-27(34-35-28(23)19-21)16-13-20-7-3-4-17-31-20/h1-19H,(H,33,36)(H,34,35)/b16-13+
InChIKeyCILWUEUFUBHTKY-DTQAZKPQSA-N
XLogP7.08
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.60
LogP ≤ 57.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]-N-quinolin-5-ylbenzamide with MolForge

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Launch Full Analysis

Related Compounds

N-(5-hydroxynaphthalen-1-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
CID 137314354
N-methyl-2-[[3-[(Z)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
CID 162040435
N-(3-hydroxyphenyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
CID 134144265
N-(3-acetamidophenyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
CID 134137011
N-(2,6-diethylphenyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
CID 134131702
N-(4-methylphenyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
CID 134152183
2-methyl-N'-[2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzoyl]benzohydrazide
CID 22978101
2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]-N-(trideuterio(113C)methyl)benzamide
CID 131871370
N-[3-(methylcarbamoyl)phenyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
CID 134146122
N-(8-hydroxyquinolin-2-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
CID 137316349
N-cyclopropyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
CID 22978308
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
CID 134156557

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]-N-quinolin-5-ylbenzamide?
The IUPAC name of 2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]-N-quinolin-5-ylbenzamide (CID 134155217) is 2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]-N-quinolin-5-ylbenzamide.
What is the SMILES notation for 2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]-N-quinolin-5-ylbenzamide?
The canonical SMILES for 2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]-N-quinolin-5-ylbenzamide is O=C(Nc1cccc2ncccc12)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1.
What is the InChIKey of 2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]-N-quinolin-5-ylbenzamide?
The InChIKey is CILWUEUFUBHTKY-DTQAZKPQSA-N. The full InChI is InChI=1S/C30H21N5OS/c36-30(33-26-11-5-10-25-22(26)9-6-18-32-25)24-8-1-2-12-29(24)37-21-14-15-23-27(34-35-28(23)19-21)16-13-20-7-3-4-17-31-20/h1-19H,(H,33,36)(H,34,35)/b16-13+.
What are the key properties of 2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]-N-quinolin-5-ylbenzamide?
2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]-N-quinolin-5-ylbenzamide has a molecular weight of 499.60 g/mol, XLogP of 7.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]-N-quinolin-5-ylbenzamide is sourced from PubChem (CID 134155217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).