N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]but-3-enamide

C25H21N3O2 — CID 134131627

IUPACN-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]but-3-enamide
SMILESC=CCC(=O)Nc1cccc(Oc2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1
InChIInChI=1S/C25H21N3O2/c1-2-7-25(29)26-19-10-6-11-20(16-19)30-21-13-14-22-23(27-28-24(22)17-21)15-12-18-8-4-3-5-9-18/h2-6,8-17H,1,7H2,(H,26,29)(H,27,28)/b15-12+
InChIKeyPDWAVFOWGWTBEZ-NTCAYCPXSA-N
MW395.46 g/mol
LogP6.04
Rot. Bonds7

About N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]but-3-enamide

N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]but-3-enamide (PubChem CID 134131627) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]but-3-enamide.

Molecular Properties

Compound NameN-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]but-3-enamide
PubChem CID134131627
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC NameN-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]but-3-enamide
SMILESC=CCC(=O)Nc1cccc(Oc2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1
InChIInChI=1S/C25H21N3O2/c1-2-7-25(29)26-19-10-6-11-20(16-19)30-21-13-14-22-23(27-28-24(22)17-21)15-12-18-8-4-3-5-9-18/h2-6,8-17H,1,7H2,(H,26,29)(H,27,28)/b15-12+
InChIKeyPDWAVFOWGWTBEZ-NTCAYCPXSA-N
XLogP6.04
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-{[(4-phenoxy-1H-indazol-3-yl)amino]methyl}phenyl)acetamide
CID 11257276
N-(3-methoxyphenyl)-1H-indazole-3-carboxamide
CID 16866354
N-[4-(5-ethoxy-1H-indazol-3-yl)phenyl]acetamide
CID 71681990
3-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide
CID 21877294
N-[3-[[3-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide
CID 21877333
N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]acetamide
CID 21877419
N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide
CID 21877466
2-ethyl-5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide
CID 22978081
N-[3-[[3-[(E)-2-(furan-2-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide
CID 22978274
N-[3-(5-ethoxy-1H-indazol-3-yl)phenyl]acetamide
CID 71681991
1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-methoxyphenyl)urea
CID 122195167
N-(3-(6-methoxy-1H-indol-2-yl)-1H-indazol-5-yl)acetamide
CID 136030594

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]but-3-enamide?
The IUPAC name of N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]but-3-enamide (CID 134131627) is N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]but-3-enamide.
What is the SMILES notation for N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]but-3-enamide?
The canonical SMILES for N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]but-3-enamide is C=CCC(=O)Nc1cccc(Oc2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1.
What is the InChIKey of N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]but-3-enamide?
The InChIKey is PDWAVFOWGWTBEZ-NTCAYCPXSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-2-7-25(29)26-19-10-6-11-20(16-19)30-21-13-14-22-23(27-28-24(22)17-21)15-12-18-8-4-3-5-9-18/h2-6,8-17H,1,7H2,(H,26,29)(H,27,28)/b15-12+.
What are the key properties of N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]but-3-enamide?
N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]but-3-enamide has a molecular weight of 395.46 g/mol, XLogP of 6.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]but-3-enamide is sourced from PubChem (CID 134131627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).