2-fluoro-N-prop-2-ynyl-6-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]benzamide

C24H17FN4OS — CID 91200935

IUPAC2-fluoro-N-prop-2-ynyl-6-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]benzamide
SMILESC#CCNC(=O)c1c(F)cccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1
InChIInChI=1S/C24H17FN4OS/c1-2-13-27-24(30)23-19(25)7-5-8-22(23)31-17-10-11-18-20(28-29-21(18)15-17)12-9-16-6-3-4-14-26-16/h1,3-12,14-15H,13H2,(H,27,30)(H,28,29)
InChIKeyBMXIDDFULNMABS-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.78
Rot. Bonds6

About 2-fluoro-N-prop-2-ynyl-6-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]benzamide

2-fluoro-N-prop-2-ynyl-6-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]benzamide (PubChem CID 91200935) has the molecular formula C24H17FN4OS and a molecular weight of 428.49 g/mol. Its IUPAC name is 2-fluoro-N-prop-2-ynyl-6-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-prop-2-ynyl-6-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]benzamide
PubChem CID91200935
Molecular FormulaC24H17FN4OS
Molecular Weight428.49 g/mol
Exact Mass428.11
IUPAC Name2-fluoro-N-prop-2-ynyl-6-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]benzamide
SMILESC#CCNC(=O)c1c(F)cccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1
InChIInChI=1S/C24H17FN4OS/c1-2-13-27-24(30)23-19(25)7-5-8-22(23)31-17-10-11-18-20(28-29-21(18)15-17)12-9-16-6-3-4-14-26-16/h1,3-12,14-15H,13H2,(H,27,30)(H,28,29)
InChIKeyBMXIDDFULNMABS-UHFFFAOYSA-N
XLogP4.78
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-fluoro-N-prop-2-ynyl-6-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]benzamide 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

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-[2-(N-methylanilino)ethyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
CID 70025521
N-(2,6-diethylphenyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
CID 134131702
ethyl 2-[[2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzoyl]amino]acetate
CID 134138342
2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]-N-(trideuterio(113C)methyl)benzamide
CID 131871370
N-[(1-hydroxycyclohexyl)methyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
CID 134150919
N-ethoxy-3-fluoro-2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]benzamide
CID 91130829
N-hydroxy-N-methyl-2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]benzamide
CID 91341062
N-ethoxy-2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]benzamide
CID 91606124
N-(furan-2-ylmethyl)-2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]benzamide
CID 90905062
2-methyl-N'-[2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzoyl]benzohydrazide
CID 22978101
N-(3-acetamidophenyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
CID 134137011

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-prop-2-ynyl-6-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]benzamide?
The IUPAC name of 2-fluoro-N-prop-2-ynyl-6-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]benzamide (CID 91200935) is 2-fluoro-N-prop-2-ynyl-6-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]benzamide.
What is the SMILES notation for 2-fluoro-N-prop-2-ynyl-6-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]benzamide?
The canonical SMILES for 2-fluoro-N-prop-2-ynyl-6-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]benzamide is C#CCNC(=O)c1c(F)cccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1.
What is the InChIKey of 2-fluoro-N-prop-2-ynyl-6-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]benzamide?
The InChIKey is BMXIDDFULNMABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4OS/c1-2-13-27-24(30)23-19(25)7-5-8-22(23)31-17-10-11-18-20(28-29-21(18)15-17)12-9-16-6-3-4-14-26-16/h1,3-12,14-15H,13H2,(H,27,30)(H,28,29).
What are the key properties of 2-fluoro-N-prop-2-ynyl-6-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]benzamide?
2-fluoro-N-prop-2-ynyl-6-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]benzamide has a molecular weight of 428.49 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-prop-2-ynyl-6-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]benzamide is sourced from PubChem (CID 91200935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).