2-[5-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]propanoic acid

C23H19N3O4 — CID 91078245

IUPAC2-[5-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]propanoic acid
SMILESCC(C(=O)O)c1ccc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)o1
InChIInChI=1S/C23H19N3O4/c1-14(23(28)29)19-12-11-16(30-19)13-24-26-22(27)21-20(15-7-3-2-4-8-15)17-9-5-6-10-18(17)25-21/h2-14,25H,1H3,(H,26,27)(H,28,29)
InChIKeyCKTJWLVCCZASGC-UHFFFAOYSA-N
MW401.42 g/mol
LogP4.38
Rot. Bonds6

About 2-[5-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]propanoic acid

2-[5-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]propanoic acid (PubChem CID 91078245) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is 2-[5-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]propanoic acid
PubChem CID91078245
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC Name2-[5-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]propanoic acid
SMILESCC(C(=O)O)c1ccc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)o1
InChIInChI=1S/C23H19N3O4/c1-14(23(28)29)19-12-11-16(30-19)13-24-26-22(27)21-20(15-7-3-2-4-8-15)17-9-5-6-10-18(17)25-21/h2-14,25H,1H3,(H,26,27)(H,28,29)
InChIKeyCKTJWLVCCZASGC-UHFFFAOYSA-N
XLogP4.38
TPSA107.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[5-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]propanoic acid 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-[(E)-(4-bromophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 10273493
N-[(4-iodophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 70159294
N-[(6-methyl-2-pyridinyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 70119777
N-[(E)-1H-imidazol-2-ylmethylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 135418261
3-phenyl-N-[(E)-quinolin-4-ylmethylideneamino]-1H-indole-2-carboxamide
CID 10157205
3-phenyl-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]-1H-indole-2-carboxamide
CID 10272869
N-[(4-chlorophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-indole-2-carboxamide
CID 70130221
N-[(E)-benzylideneamino]-5-bromo-3-phenyl-1H-indole-2-carboxamide
CID 6878137
[2-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 3-methylbenzoate
CID 126402812
[2-methoxy-4-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] benzoate
CID 126401311
[2,4-dibromo-6-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] benzoate
CID 126399498
2-[[(5-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]benzoate
CID 3689306

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]propanoic acid?
The IUPAC name of 2-[5-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]propanoic acid (CID 91078245) is 2-[5-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]propanoic acid.
What is the SMILES notation for 2-[5-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]propanoic acid?
The canonical SMILES for 2-[5-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]propanoic acid is CC(C(=O)O)c1ccc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)o1.
What is the InChIKey of 2-[5-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]propanoic acid?
The InChIKey is CKTJWLVCCZASGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4/c1-14(23(28)29)19-12-11-16(30-19)13-24-26-22(27)21-20(15-7-3-2-4-8-15)17-9-5-6-10-18(17)25-21/h2-14,25H,1H3,(H,26,27)(H,28,29).
What are the key properties of 2-[5-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]propanoic acid?
2-[5-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]propanoic acid has a molecular weight of 401.42 g/mol, XLogP of 4.38, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]propanoic acid is sourced from PubChem (CID 91078245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).