5-[(2E,4E)-5-(methylideneamino)-4-phenoxypenta-2,4-dien-2-yl]-N-phenyl-1H-indazole-3-carboxamide

C26H22N4O2 — CID 146233119

IUPAC5-[(2E,4E)-5-(methylideneamino)-4-phenoxypenta-2,4-dien-2-yl]-N-phenyl-1H-indazole-3-carboxamide
SMILESC=N/C=C(\C=C(/C)c1ccc2[nH]nc(C(=O)Nc3ccccc3)c2c1)Oc1ccccc1
InChIInChI=1S/C26H22N4O2/c1-18(15-22(17-27-2)32-21-11-7-4-8-12-21)19-13-14-24-23(16-19)25(30-29-24)26(31)28-20-9-5-3-6-10-20/h3-17H,2H2,1H3,(H,28,31)(H,29,30)/b18-15+,22-17+
InChIKeyHJTSOLXYVLIDCU-BEVFYSPWSA-N
MW422.49 g/mol
LogP5.84
Rot. Bonds7

About 5-[(2E,4E)-5-(methylideneamino)-4-phenoxypenta-2,4-dien-2-yl]-N-phenyl-1H-indazole-3-carboxamide

5-[(2E,4E)-5-(methylideneamino)-4-phenoxypenta-2,4-dien-2-yl]-N-phenyl-1H-indazole-3-carboxamide (PubChem CID 146233119) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is 5-[(2E,4E)-5-(methylideneamino)-4-phenoxypenta-2,4-dien-2-yl]-N-phenyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2E,4E)-5-(methylideneamino)-4-phenoxypenta-2,4-dien-2-yl]-N-phenyl-1H-indazole-3-carboxamide
PubChem CID146233119
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC Name5-[(2E,4E)-5-(methylideneamino)-4-phenoxypenta-2,4-dien-2-yl]-N-phenyl-1H-indazole-3-carboxamide
SMILESC=N/C=C(\C=C(/C)c1ccc2[nH]nc(C(=O)Nc3ccccc3)c2c1)Oc1ccccc1
InChIInChI=1S/C26H22N4O2/c1-18(15-22(17-27-2)32-21-11-7-4-8-12-21)19-13-14-24-23(16-19)25(30-29-24)26(31)28-20-9-5-3-6-10-20/h3-17H,2H2,1H3,(H,28,31)(H,29,30)/b18-15+,22-17+
InChIKeyHJTSOLXYVLIDCU-BEVFYSPWSA-N
XLogP5.84
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.49
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 5-[(2E,4E)-5-(methylideneamino)-4-phenoxypenta-2,4-dien-2-yl]-N-phenyl-1H-indazole-3-carboxamide 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

5-[(2E,4E)-5-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-2-yl]-N-pyridin-3-yl-1H-indazole-3-carboxamide
CID 135200499
5-[(2E,4E)-5-(methylideneamino)-4-(pyrrolidin-1-ylmethyl)penta-2,4-dien-2-yl]-N-pyridin-3-yl-1H-indazole-3-carboxamide
CID 155017777
5-[(2E,4E)-4-chloro-5-(methylideneamino)penta-2,4-dien-2-yl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide
CID 130368490
N-(6-ethoxy-3-pyridinyl)-5-[(2E,4E)-5-(methylideneamino)-4-(pyrrolidin-1-ylmethyl)penta-2,4-dien-2-yl]-1H-indazole-3-carboxamide
CID 155017781
N-(2,3-dihydro-1H-inden-2-yl)-5-[(2E,4E)-4-[(dimethylamino)methyl]-5-(methylideneamino)penta-2,4-dien-2-yl]-1H-indazole-3-carboxamide
CID 134487952
N-[6-(4-fluorophenyl)-3-pyridinyl]-5-[(2E,4E)-5-(methylideneamino)-4-(piperidin-1-ylmethyl)penta-2,4-dien-2-yl]-1H-indazole-3-carboxamide
CID 146233127
N-(5-fluoro-3-pyridinyl)-5-[(2E,4E)-4-[(4-hydroxypiperidin-1-yl)methyl]-5-(methylideneamino)penta-2,4-dien-2-yl]-1H-indazole-3-carboxamide
CID 135200303
5,6-dimethoxy-N-phenyl-1H-indazole-3-carboxamide
CID 154174808
N-[3-[(E)-but-2-en-2-yl]-1H-indazol-5-yl]benzamide
CID 142208930
N-(3-acetamidophenyl)-1H-indazole-3-carboxamide
CID 9114494
5-[(2E,4E)-4-[(4-hydroxypiperidin-1-yl)methyl]-5-(methylideneamino)penta-2,4-dien-2-yl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 135200447
5-[(2E,4E)-4-[(3,3-difluoropyrrolidin-1-yl)methyl]-5-(methylideneamino)penta-2,4-dien-2-yl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 155017786

Frequently Asked Questions

What is the IUPAC name of 5-[(2E,4E)-5-(methylideneamino)-4-phenoxypenta-2,4-dien-2-yl]-N-phenyl-1H-indazole-3-carboxamide?
The IUPAC name of 5-[(2E,4E)-5-(methylideneamino)-4-phenoxypenta-2,4-dien-2-yl]-N-phenyl-1H-indazole-3-carboxamide (CID 146233119) is 5-[(2E,4E)-5-(methylideneamino)-4-phenoxypenta-2,4-dien-2-yl]-N-phenyl-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[(2E,4E)-5-(methylideneamino)-4-phenoxypenta-2,4-dien-2-yl]-N-phenyl-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[(2E,4E)-5-(methylideneamino)-4-phenoxypenta-2,4-dien-2-yl]-N-phenyl-1H-indazole-3-carboxamide is C=N/C=C(\C=C(/C)c1ccc2[nH]nc(C(=O)Nc3ccccc3)c2c1)Oc1ccccc1.
What is the InChIKey of 5-[(2E,4E)-5-(methylideneamino)-4-phenoxypenta-2,4-dien-2-yl]-N-phenyl-1H-indazole-3-carboxamide?
The InChIKey is HJTSOLXYVLIDCU-BEVFYSPWSA-N. The full InChI is InChI=1S/C26H22N4O2/c1-18(15-22(17-27-2)32-21-11-7-4-8-12-21)19-13-14-24-23(16-19)25(30-29-24)26(31)28-20-9-5-3-6-10-20/h3-17H,2H2,1H3,(H,28,31)(H,29,30)/b18-15+,22-17+.
What are the key properties of 5-[(2E,4E)-5-(methylideneamino)-4-phenoxypenta-2,4-dien-2-yl]-N-phenyl-1H-indazole-3-carboxamide?
5-[(2E,4E)-5-(methylideneamino)-4-phenoxypenta-2,4-dien-2-yl]-N-phenyl-1H-indazole-3-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 5.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2E,4E)-5-(methylideneamino)-4-phenoxypenta-2,4-dien-2-yl]-N-phenyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 146233119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).