2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N'-phenylpropanehydrazide

C27H26N4O2 — CID 3991047

IUPAC2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N'-phenylpropanehydrazide
SMILESCc1c(C2c3ccccc3C(=O)N2C(C)C(=O)NNc2ccccc2)c2ccccc2n1C
InChIInChI=1S/C27H26N4O2/c1-17-24(22-15-9-10-16-23(22)30(17)3)25-20-13-7-8-14-21(20)27(33)31(25)18(2)26(32)29-28-19-11-5-4-6-12-19/h4-16,18,25,28H,1-3H3,(H,29,32)
InChIKeyLSAKSEAPEXDONC-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.56
Rot. Bonds5

About 2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N'-phenylpropanehydrazide

2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N'-phenylpropanehydrazide (PubChem CID 3991047) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N'-phenylpropanehydrazide.

Molecular Properties

Compound Name2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N'-phenylpropanehydrazide
PubChem CID3991047
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC Name2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N'-phenylpropanehydrazide
SMILESCc1c(C2c3ccccc3C(=O)N2C(C)C(=O)NNc2ccccc2)c2ccccc2n1C
InChIInChI=1S/C27H26N4O2/c1-17-24(22-15-9-10-16-23(22)30(17)3)25-20-13-7-8-14-21(20)27(33)31(25)18(2)26(32)29-28-19-11-5-4-6-12-19/h4-16,18,25,28H,1-3H3,(H,29,32)
InChIKeyLSAKSEAPEXDONC-UHFFFAOYSA-N
XLogP4.56
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N,N-diethylpropanamide
CID 3966369
2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-3-methyl-N-(4-phenylbutan-2-yl)pentanamide
CID 5184957
3-(1,2-dimethylindol-3-yl)-2-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3H-isoindol-1-one
CID 4026457
N-cyclododecyl-2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-3-methylpentanamide
CID 4002697
N-cyclohexyl-2-[1-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3-oxo-1H-isoindol-2-yl]propanamide
CID 4637578
2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-[4-(3,5-dimethylpiperidin-1-yl)phenyl]-4-methylpentanamide
CID 4302750
2-[1-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3-oxo-1H-isoindol-2-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 3980946
methyl 2-[(1S)-1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetate
CID 7346320
(3R)-2-benzyl-3-(1,2-dimethylindol-3-yl)-3H-isoindol-1-one
CID 41031701
N-[(3-methoxyphenyl)methyl]-2-[1-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3-oxo-1H-isoindol-2-yl]propanamide
CID 5171904
2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-octan-2-ylacetamide
CID 4667572
2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 3912930

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N'-phenylpropanehydrazide?
The IUPAC name of 2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N'-phenylpropanehydrazide (CID 3991047) is 2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N'-phenylpropanehydrazide.
What is the SMILES notation for 2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N'-phenylpropanehydrazide?
The canonical SMILES for 2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N'-phenylpropanehydrazide is Cc1c(C2c3ccccc3C(=O)N2C(C)C(=O)NNc2ccccc2)c2ccccc2n1C.
What is the InChIKey of 2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N'-phenylpropanehydrazide?
The InChIKey is LSAKSEAPEXDONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2/c1-17-24(22-15-9-10-16-23(22)30(17)3)25-20-13-7-8-14-21(20)27(33)31(25)18(2)26(32)29-28-19-11-5-4-6-12-19/h4-16,18,25,28H,1-3H3,(H,29,32).
What are the key properties of 2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N'-phenylpropanehydrazide?
2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N'-phenylpropanehydrazide has a molecular weight of 438.53 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N'-phenylpropanehydrazide is sourced from PubChem (CID 3991047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).