N'-(1-methylindole-3-carbonyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carbohydrazide

C23H23N5O3 — CID 55408908

IUPACN'-(1-methylindole-3-carbonyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carbohydrazide
SMILESCC(C)Cn1nc(C(=O)NNC(=O)c2cn(C)c3ccccc23)c2ccccc2c1=O
InChIInChI=1S/C23H23N5O3/c1-14(2)12-28-23(31)17-10-5-4-9-16(17)20(26-28)22(30)25-24-21(29)18-13-27(3)19-11-7-6-8-15(18)19/h4-11,13-14H,12H2,1-3H3,(H,24,29)(H,25,30)
InChIKeyYVBSIJVKZYACSF-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.62
Rot. Bonds4

About N'-(1-methylindole-3-carbonyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carbohydrazide

N'-(1-methylindole-3-carbonyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carbohydrazide (PubChem CID 55408908) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is N'-(1-methylindole-3-carbonyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-(1-methylindole-3-carbonyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carbohydrazide
PubChem CID55408908
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC NameN'-(1-methylindole-3-carbonyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carbohydrazide
SMILESCC(C)Cn1nc(C(=O)NNC(=O)c2cn(C)c3ccccc23)c2ccccc2c1=O
InChIInChI=1S/C23H23N5O3/c1-14(2)12-28-23(31)17-10-5-4-9-16(17)20(26-28)22(30)25-24-21(29)18-13-27(3)19-11-7-6-8-15(18)19/h4-11,13-14H,12H2,1-3H3,(H,24,29)(H,25,30)
InChIKeyYVBSIJVKZYACSF-UHFFFAOYSA-N
XLogP2.62
TPSA98.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-chloro-2-hydroxybenzoyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carbohydrazide
CID 55468035
N-(2-acetylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 51148476
3-(2-methylpropyl)-4-oxo-N'-(2,3,5,6-tetrafluorophenyl)phthalazine-1-carbohydrazide
CID 2094928
3-(2-methylpropyl)-4-oxo-N-phenylmethoxyphthalazine-1-carboxamide
CID 9227461
N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carbohydrazide
CID 9470547
1-methyl-N'-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]indole-3-carbohydrazide
CID 40717499
3-(2-methylpropyl)-4-oxo-N-pyridin-2-ylphthalazine-1-carboxamide
CID 51194000
N-(3-amino-2-methylpropyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide;hydrochloride
CID 119997836
N-[(2R)-2-(ethylamino)propyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 120653191
N-(3,5-dimethylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 3944118
3-(2-methylpropyl)-4-oxo-N-(4-phenylphenyl)phthalazine-1-carboxamide
CID 7925968
4-methyl-2-[[[3-(2-methylpropyl)-4-oxophthalazine-1-carbonyl]amino]methyl]pentanoic acid
CID 119253300

Frequently Asked Questions

What is the IUPAC name of N'-(1-methylindole-3-carbonyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carbohydrazide?
The IUPAC name of N'-(1-methylindole-3-carbonyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carbohydrazide (CID 55408908) is N'-(1-methylindole-3-carbonyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carbohydrazide.
What is the SMILES notation for N'-(1-methylindole-3-carbonyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carbohydrazide?
The canonical SMILES for N'-(1-methylindole-3-carbonyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carbohydrazide is CC(C)Cn1nc(C(=O)NNC(=O)c2cn(C)c3ccccc23)c2ccccc2c1=O.
What is the InChIKey of N'-(1-methylindole-3-carbonyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carbohydrazide?
The InChIKey is YVBSIJVKZYACSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-14(2)12-28-23(31)17-10-5-4-9-16(17)20(26-28)22(30)25-24-21(29)18-13-27(3)19-11-7-6-8-15(18)19/h4-11,13-14H,12H2,1-3H3,(H,24,29)(H,25,30).
What are the key properties of N'-(1-methylindole-3-carbonyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carbohydrazide?
N'-(1-methylindole-3-carbonyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carbohydrazide has a molecular weight of 417.47 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-methylindole-3-carbonyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carbohydrazide is sourced from PubChem (CID 55408908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).