N'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide

C22H21N5O3 — CID 2580288

IUPACN'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide
SMILESCn1nc(C(=O)NNC(=O)CCCc2c[nH]c3ccccc23)c2ccccc2c1=O
InChIInChI=1S/C22H21N5O3/c1-27-22(30)17-10-3-2-9-16(17)20(26-27)21(29)25-24-19(28)12-6-7-14-13-23-18-11-5-4-8-15(14)18/h2-5,8-11,13,23H,6-7,12H2,1H3,(H,24,28)(H,25,29)
InChIKeyGKRDPCLWUNHNKG-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.20
Rot. Bonds5

About N'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide

N'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide (PubChem CID 2580288) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is N'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide
PubChem CID2580288
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC NameN'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide
SMILESCn1nc(C(=O)NNC(=O)CCCc2c[nH]c3ccccc23)c2ccccc2c1=O
InChIInChI=1S/C22H21N5O3/c1-27-22(30)17-10-3-2-9-16(17)20(26-27)21(29)25-24-19(28)12-6-7-14-13-23-18-11-5-4-8-15(14)18/h2-5,8-11,13,23H,6-7,12H2,1H3,(H,24,28)(H,25,29)
InChIKeyGKRDPCLWUNHNKG-UHFFFAOYSA-N
XLogP2.20
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide 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-methyl-4-oxo-N'-(2-phenylacetyl)phthalazine-1-carbohydrazide
CID 7750621
N-[3-(1H-indol-3-yl)-1-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxopropan-2-yl]acetamide
CID 4855798
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
N'-[3-(4-fluorophenyl)propanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide
CID 51195423
4-bromo-N'-[4-(1H-indol-3-yl)butanoyl]-1-methylpyrrole-2-carbohydrazide
CID 27036776
N'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 26873945
4-[4-(1H-indol-3-yl)butanoylamino]-N,1-dimethylpyrazole-3-carboxamide
CID 19408905
N'-[2-(1H-indol-3-yl)acetyl]-3-methyltriazole-4-carbohydrazide
CID 100694106
N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide
CID 2086054
3-methyl-4-oxo-N'-(3-phenylbutanoyl)phthalazine-1-carbohydrazide
CID 42908214
N-[2-(1H-indol-3-yl)ethyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 78767432
4-[4-(1H-indol-3-yl)butanoylamino]-1-methylpyrazole-5-carboxylic acid
CID 19405981

Frequently Asked Questions

What is the IUPAC name of N'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide?
The IUPAC name of N'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide (CID 2580288) is N'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide.
What is the SMILES notation for N'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide?
The canonical SMILES for N'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide is Cn1nc(C(=O)NNC(=O)CCCc2c[nH]c3ccccc23)c2ccccc2c1=O.
What is the InChIKey of N'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide?
The InChIKey is GKRDPCLWUNHNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-27-22(30)17-10-3-2-9-16(17)20(26-27)21(29)25-24-19(28)12-6-7-14-13-23-18-11-5-4-8-15(14)18/h2-5,8-11,13,23H,6-7,12H2,1H3,(H,24,28)(H,25,29).
What are the key properties of N'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide?
N'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide has a molecular weight of 403.44 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide is sourced from PubChem (CID 2580288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).