1-benzyl-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2,3-dimethylindole-5-carboxamide

C24H25N5O — CID 5455199

IUPAC1-benzyl-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2,3-dimethylindole-5-carboxamide
SMILESCc1nn(C)cc1/C=N\NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccccc1
InChIInChI=1S/C24H25N5O/c1-16-18(3)29(14-19-8-6-5-7-9-19)23-11-10-20(12-22(16)23)24(30)26-25-13-21-15-28(4)27-17(21)2/h5-13,15H,14H2,1-4H3,(H,26,30)/b25-13-
InChIKeyXATNJMFESTVZDB-MXAYSNPKSA-N
MW399.50 g/mol
LogP4.11
Rot. Bonds5

About 1-benzyl-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2,3-dimethylindole-5-carboxamide

1-benzyl-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2,3-dimethylindole-5-carboxamide (PubChem CID 5455199) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 1-benzyl-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2,3-dimethylindole-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2,3-dimethylindole-5-carboxamide
PubChem CID5455199
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name1-benzyl-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2,3-dimethylindole-5-carboxamide
SMILESCc1nn(C)cc1/C=N\NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccccc1
InChIInChI=1S/C24H25N5O/c1-16-18(3)29(14-19-8-6-5-7-9-19)23-11-10-20(12-22(16)23)24(30)26-25-13-21-15-28(4)27-17(21)2/h5-13,15H,14H2,1-4H3,(H,26,30)/b25-13-
InChIKeyXATNJMFESTVZDB-MXAYSNPKSA-N
XLogP4.11
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-benzyl-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2,3-dimethylindole-5-carboxamide 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

1-benzyl-N-[(E)-(4-chlorophenyl)methylideneamino]-2,3-dimethylindole-5-carboxamide
CID 6875064
N,1-dibenzyl-2,3-dimethylindole-5-carboxamide
CID 20940123
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-3-iodobenzamide
CID 95395790
1-benzyl-2,3-dimethyl-N-(3-methylbutyl)indole-5-carboxamide
CID 20940136
1-benzyl-2,3-dimethyl-N-(4-phenylbutan-2-yl)indole-5-carboxamide
CID 20940145
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide
CID 46501991
N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide
CID 4615384
[4-(1-benzyl-2,3-dimethylindole-5-carbonyl)piperazin-1-yl]-phenylmethanone
CID 1074923
1-benzyl-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,3-dimethylindole-5-carboxamide
CID 19283645
N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-bromobenzamide
CID 3382244
N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 17047876
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-methoxybenzamide
CID 6883031

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2,3-dimethylindole-5-carboxamide?
The IUPAC name of 1-benzyl-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2,3-dimethylindole-5-carboxamide (CID 5455199) is 1-benzyl-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2,3-dimethylindole-5-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2,3-dimethylindole-5-carboxamide?
The canonical SMILES for 1-benzyl-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2,3-dimethylindole-5-carboxamide is Cc1nn(C)cc1/C=N\NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2,3-dimethylindole-5-carboxamide?
The InChIKey is XATNJMFESTVZDB-MXAYSNPKSA-N. The full InChI is InChI=1S/C24H25N5O/c1-16-18(3)29(14-19-8-6-5-7-9-19)23-11-10-20(12-22(16)23)24(30)26-25-13-21-15-28(4)27-17(21)2/h5-13,15H,14H2,1-4H3,(H,26,30)/b25-13-.
What are the key properties of 1-benzyl-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2,3-dimethylindole-5-carboxamide?
1-benzyl-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2,3-dimethylindole-5-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2,3-dimethylindole-5-carboxamide is sourced from PubChem (CID 5455199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).