N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-5-nitro-1H-indazole-3-carboxamide

C19H16N4O4 — CID 51938630

IUPACN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-5-nitro-1H-indazole-3-carboxamide
SMILESC[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C19H16N4O4/c1-11(17-9-12-5-3-4-6-16(12)27-17)22(2)19(24)18-14-10-13(23(25)26)7-8-15(14)20-21-18/h3-11H,1-2H3,(H,20,21)/t11-/m0/s1
InChIKeyKUUPLHWDKNZFQD-NSHDSACASA-N
MW364.36 g/mol
LogP4.05
Rot. Bonds4

About N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-5-nitro-1H-indazole-3-carboxamide

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-5-nitro-1H-indazole-3-carboxamide (PubChem CID 51938630) has the molecular formula C19H16N4O4 and a molecular weight of 364.36 g/mol. Its IUPAC name is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-5-nitro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-5-nitro-1H-indazole-3-carboxamide
PubChem CID51938630
Molecular FormulaC19H16N4O4
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-5-nitro-1H-indazole-3-carboxamide
SMILESC[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C19H16N4O4/c1-11(17-9-12-5-3-4-6-16(12)27-17)22(2)19(24)18-14-10-13(23(25)26)7-8-15(14)20-21-18/h3-11H,1-2H3,(H,20,21)/t11-/m0/s1
InChIKeyKUUPLHWDKNZFQD-NSHDSACASA-N
XLogP4.05
TPSA105.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-5-nitro-1H-indazole-3-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

N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-nitrobenzamide
CID 42946017
1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-(4-nitrophenyl)urea
CID 134040562
N-benzyl-5-nitro-N-propan-2-yl-1H-indazole-3-carboxamide
CID 60550799
N-[1-(1-benzofuran-2-yl)ethyl]-N,4-dimethyl-3-nitrobenzamide
CID 46550836
5-nitro-N-[(2S)-2-phenylpropyl]-1H-indazole-3-carboxamide
CID 35411829
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-5-nitro-1H-indazole-3-carboxamide
CID 35412407
N-(3-aminobutyl)-5-nitro-1H-indazole-3-carboxamide
CID 119495670
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-1H-indole-2-carboxamide
CID 39976177
N-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyridine-4-carboxamide
CID 46551068
(1S)-1-(1-benzofuran-2-yl)-N-methyl-N-[(4-nitrophenyl)methyl]ethanamine
CID 51873250
N-(3-hydroxybutyl)-5-nitro-1H-indazole-3-carboxamide
CID 111429041
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-5-nitro-1H-indazole-3-carboxamide
CID 134060234

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-5-nitro-1H-indazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-5-nitro-1H-indazole-3-carboxamide (CID 51938630) is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-5-nitro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-5-nitro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-5-nitro-1H-indazole-3-carboxamide is C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-5-nitro-1H-indazole-3-carboxamide?
The InChIKey is KUUPLHWDKNZFQD-NSHDSACASA-N. The full InChI is InChI=1S/C19H16N4O4/c1-11(17-9-12-5-3-4-6-16(12)27-17)22(2)19(24)18-14-10-13(23(25)26)7-8-15(14)20-21-18/h3-11H,1-2H3,(H,20,21)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-5-nitro-1H-indazole-3-carboxamide?
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-5-nitro-1H-indazole-3-carboxamide has a molecular weight of 364.36 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-5-nitro-1H-indazole-3-carboxamide is sourced from PubChem (CID 51938630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).