N-[(3E)-2-oxo-3-[[3-[(E)-2-pyridin-4-ylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-1H-indol-7-yl]acetamide

C31H33N5O3Si — CID 68754755

IUPACN-[(3E)-2-oxo-3-[[3-[(E)-2-pyridin-4-ylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-1H-indol-7-yl]acetamide
SMILESCC(=O)Nc1cccc2c1NC(=O)/C2=C/c1ccc2c(/C=C/c3ccncc3)nn(COCC[Si](C)(C)C)c2c1
InChIInChI=1S/C31H33N5O3Si/c1-21(37)33-28-7-5-6-24-26(31(38)34-30(24)28)18-23-8-10-25-27(11-9-22-12-14-32-15-13-22)35-36(29(25)19-23)20-39-16-17-40(2,3)4/h5-15,18-19H,16-17,20H2,1-4H3,(H,33,37)(H,34,38)/b11-9+,26-18+
InChIKeyJBSTYUYUQSOXCI-DNMGMROESA-N
MW551.72 g/mol
LogP6.37
Rot. Bonds9

About N-[(3E)-2-oxo-3-[[3-[(E)-2-pyridin-4-ylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-1H-indol-7-yl]acetamide

N-[(3E)-2-oxo-3-[[3-[(E)-2-pyridin-4-ylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-1H-indol-7-yl]acetamide (PubChem CID 68754755) has the molecular formula C31H33N5O3Si and a molecular weight of 551.72 g/mol. Its IUPAC name is N-[(3E)-2-oxo-3-[[3-[(E)-2-pyridin-4-ylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-1H-indol-7-yl]acetamide.

Molecular Properties

Compound NameN-[(3E)-2-oxo-3-[[3-[(E)-2-pyridin-4-ylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-1H-indol-7-yl]acetamide
PubChem CID68754755
Molecular FormulaC31H33N5O3Si
Molecular Weight551.72 g/mol
Exact Mass551.24
IUPAC NameN-[(3E)-2-oxo-3-[[3-[(E)-2-pyridin-4-ylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-1H-indol-7-yl]acetamide
SMILESCC(=O)Nc1cccc2c1NC(=O)/C2=C/c1ccc2c(/C=C/c3ccncc3)nn(COCC[Si](C)(C)C)c2c1
InChIInChI=1S/C31H33N5O3Si/c1-21(37)33-28-7-5-6-24-26(31(38)34-30(24)28)18-23-8-10-25-27(11-9-22-12-14-32-15-13-22)35-36(29(25)19-23)20-39-16-17-40(2,3)4/h5-15,18-19H,16-17,20H2,1-4H3,(H,33,37)(H,34,38)/b11-9+,26-18+
InChIKeyJBSTYUYUQSOXCI-DNMGMROESA-N
XLogP6.37
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.72
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze N-[(3E)-2-oxo-3-[[3-[(E)-2-pyridin-4-ylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-1H-indol-7-yl]acetamide 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-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-(1-pyridin-3-yl-1H-indol-3-yl)-pyrrole-2,5-dione
CID 10163439
4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)pyrrolo[1,2-b]pyridazine-2-carboxamide
CID 146487799
(E)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enamide
CID 9801567
1-Ethyl-3-methyl-N-[3-[[3-[(1E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]carbonyl]phenyl]-1H-pyrazole-5-carboxamide
CID 9806464
5-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-1H-pyrazole-3-carboxamide
CID 9933361
2,5-dimethyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide
CID 9955996
5-methyl-2-prop-2-enyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide
CID 22978065
2-ethyl-5-methyl-N-[2-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide
CID 22978073
3-tert-butyl-1-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-5-carboxamide
CID 22978102
(3S,4R)-N-(1-benzylpyrazol-4-yl)-3,4-dimethyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
CID 53245863
(4R)-N-(1-benzylpyrazol-4-yl)-4-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
CID 53247684
(S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl)(4-(1H-pyrazol-4-yl)phenyl)methanone
CID 46880814

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-2-oxo-3-[[3-[(E)-2-pyridin-4-ylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-1H-indol-7-yl]acetamide?
The IUPAC name of N-[(3E)-2-oxo-3-[[3-[(E)-2-pyridin-4-ylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-1H-indol-7-yl]acetamide (CID 68754755) is N-[(3E)-2-oxo-3-[[3-[(E)-2-pyridin-4-ylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-1H-indol-7-yl]acetamide.
What is the SMILES notation for N-[(3E)-2-oxo-3-[[3-[(E)-2-pyridin-4-ylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-1H-indol-7-yl]acetamide?
The canonical SMILES for N-[(3E)-2-oxo-3-[[3-[(E)-2-pyridin-4-ylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-1H-indol-7-yl]acetamide is CC(=O)Nc1cccc2c1NC(=O)/C2=C/c1ccc2c(/C=C/c3ccncc3)nn(COCC[Si](C)(C)C)c2c1.
What is the InChIKey of N-[(3E)-2-oxo-3-[[3-[(E)-2-pyridin-4-ylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-1H-indol-7-yl]acetamide?
The InChIKey is JBSTYUYUQSOXCI-DNMGMROESA-N. The full InChI is InChI=1S/C31H33N5O3Si/c1-21(37)33-28-7-5-6-24-26(31(38)34-30(24)28)18-23-8-10-25-27(11-9-22-12-14-32-15-13-22)35-36(29(25)19-23)20-39-16-17-40(2,3)4/h5-15,18-19H,16-17,20H2,1-4H3,(H,33,37)(H,34,38)/b11-9+,26-18+.
What are the key properties of N-[(3E)-2-oxo-3-[[3-[(E)-2-pyridin-4-ylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-1H-indol-7-yl]acetamide?
N-[(3E)-2-oxo-3-[[3-[(E)-2-pyridin-4-ylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-1H-indol-7-yl]acetamide has a molecular weight of 551.72 g/mol, XLogP of 6.37, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-2-oxo-3-[[3-[(E)-2-pyridin-4-ylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-1H-indol-7-yl]acetamide is sourced from PubChem (CID 68754755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).