N-[6-methyl-3-[(E)-2-[3-(pyridin-4-ylcarbamoylamino)phenyl]ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide

C28H24N6O2S — CID 89362770

IUPACN-[6-methyl-3-[(E)-2-[3-(pyridin-4-ylcarbamoylamino)phenyl]ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
SMILESCc1cc2[nH]nc(/C=C/c3cccc(NC(=O)Nc4ccncc4)c3)c2cc1NC(=O)Cc1cccs1
InChIInChI=1S/C28H24N6O2S/c1-18-14-26-23(17-25(18)32-27(35)16-22-6-3-13-37-22)24(33-34-26)8-7-19-4-2-5-21(15-19)31-28(36)30-20-9-11-29-12-10-20/h2-15,17H,16H2,1H3,(H,32,35)(H,33,34)(H2,29,30,31,36)/b8-7+
InChIKeyXXRPDTBGFLGWMC-BQYQJAHWSA-N
MW508.61 g/mol
LogP6.32
Rot. Bonds7

About N-[6-methyl-3-[(E)-2-[3-(pyridin-4-ylcarbamoylamino)phenyl]ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide

N-[6-methyl-3-[(E)-2-[3-(pyridin-4-ylcarbamoylamino)phenyl]ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide (PubChem CID 89362770) has the molecular formula C28H24N6O2S and a molecular weight of 508.61 g/mol. Its IUPAC name is N-[6-methyl-3-[(E)-2-[3-(pyridin-4-ylcarbamoylamino)phenyl]ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[6-methyl-3-[(E)-2-[3-(pyridin-4-ylcarbamoylamino)phenyl]ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
PubChem CID89362770
Molecular FormulaC28H24N6O2S
Molecular Weight508.61 g/mol
Exact Mass508.17
IUPAC NameN-[6-methyl-3-[(E)-2-[3-(pyridin-4-ylcarbamoylamino)phenyl]ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
SMILESCc1cc2[nH]nc(/C=C/c3cccc(NC(=O)Nc4ccncc4)c3)c2cc1NC(=O)Cc1cccs1
InChIInChI=1S/C28H24N6O2S/c1-18-14-26-23(17-25(18)32-27(35)16-22-6-3-13-37-22)24(33-34-26)8-7-19-4-2-5-21(15-19)31-28(36)30-20-9-11-29-12-10-20/h2-15,17H,16H2,1H3,(H,32,35)(H,33,34)(H2,29,30,31,36)/b8-7+
InChIKeyXXRPDTBGFLGWMC-BQYQJAHWSA-N
XLogP6.32
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.61
LogP ≤ 56.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[6-methyl-3-[(E)-2-[3-(pyridin-4-ylcarbamoylamino)phenyl]ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide 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-[3-[(E)-2-[3-(cyclopentylcarbamoylamino)phenyl]ethenyl]-6-methyl-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 89362735
N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 46886342
N-[3-[(E)-2-[3-[[(2E,4Z)-2-ethenylhexa-2,4-dienyl]carbamoylamino]phenyl]ethenyl]-6-methyl-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 89362685
N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 59797224
pyridin-3-ylmethyl N-[3-[(E)-2-[6-methyl-5-[(2-thiophen-2-ylacetyl)amino]-1H-indol-3-yl]ethenyl]phenyl]carbamate
CID 143464033
2-phenyl-N-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]acetamide
CID 46886304
N-[3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-thiophen-2-ylacetamide
CID 59797033
3-[(E)-2-(3-ethylphenyl)ethenyl]-N,6-dimethyl-1H-indazol-5-amine
CID 143463805
2-cyclopropyl-N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 161400375
N-(2-acetamidophenyl)-2-thiophen-2-ylacetamide
CID 1363852
N-(3-fluorophenyl)-2-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 38269111
N-(3-ethyl-2H-indazol-5-yl)-2-thiophen-2-ylacetamide
CID 123966768

Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-3-[(E)-2-[3-(pyridin-4-ylcarbamoylamino)phenyl]ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[6-methyl-3-[(E)-2-[3-(pyridin-4-ylcarbamoylamino)phenyl]ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide (CID 89362770) is N-[6-methyl-3-[(E)-2-[3-(pyridin-4-ylcarbamoylamino)phenyl]ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[6-methyl-3-[(E)-2-[3-(pyridin-4-ylcarbamoylamino)phenyl]ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[6-methyl-3-[(E)-2-[3-(pyridin-4-ylcarbamoylamino)phenyl]ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide is Cc1cc2[nH]nc(/C=C/c3cccc(NC(=O)Nc4ccncc4)c3)c2cc1NC(=O)Cc1cccs1.
What is the InChIKey of N-[6-methyl-3-[(E)-2-[3-(pyridin-4-ylcarbamoylamino)phenyl]ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?
The InChIKey is XXRPDTBGFLGWMC-BQYQJAHWSA-N. The full InChI is InChI=1S/C28H24N6O2S/c1-18-14-26-23(17-25(18)32-27(35)16-22-6-3-13-37-22)24(33-34-26)8-7-19-4-2-5-21(15-19)31-28(36)30-20-9-11-29-12-10-20/h2-15,17H,16H2,1H3,(H,32,35)(H,33,34)(H2,29,30,31,36)/b8-7+.
What are the key properties of N-[6-methyl-3-[(E)-2-[3-(pyridin-4-ylcarbamoylamino)phenyl]ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?
N-[6-methyl-3-[(E)-2-[3-(pyridin-4-ylcarbamoylamino)phenyl]ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide has a molecular weight of 508.61 g/mol, XLogP of 6.32, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-3-[(E)-2-[3-(pyridin-4-ylcarbamoylamino)phenyl]ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 89362770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).