N-[2-(methylamino)ethyl]-3-(5-phenyl-1H-imidazol-2-yl)-1H-indazole-5-carboxamide

C20H20N6O — CID 171830421

IUPACN-[2-(methylamino)ethyl]-3-(5-phenyl-1H-imidazol-2-yl)-1H-indazole-5-carboxamide
SMILESCNCCNC(=O)c1ccc2[nH]nc(-c3ncc(-c4ccccc4)[nH]3)c2c1
InChIInChI=1S/C20H20N6O/c1-21-9-10-22-20(27)14-7-8-16-15(11-14)18(26-25-16)19-23-12-17(24-19)13-5-3-2-4-6-13/h2-8,11-12,21H,9-10H2,1H3,(H,22,27)(H,23,24)(H,25,26)
InChIKeyRMTICEBZFBMIPO-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.57
Rot. Bonds6

About N-[2-(methylamino)ethyl]-3-(5-phenyl-1H-imidazol-2-yl)-1H-indazole-5-carboxamide

N-[2-(methylamino)ethyl]-3-(5-phenyl-1H-imidazol-2-yl)-1H-indazole-5-carboxamide (PubChem CID 171830421) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-3-(5-phenyl-1H-imidazol-2-yl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-3-(5-phenyl-1H-imidazol-2-yl)-1H-indazole-5-carboxamide
PubChem CID171830421
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC NameN-[2-(methylamino)ethyl]-3-(5-phenyl-1H-imidazol-2-yl)-1H-indazole-5-carboxamide
SMILESCNCCNC(=O)c1ccc2[nH]nc(-c3ncc(-c4ccccc4)[nH]3)c2c1
InChIInChI=1S/C20H20N6O/c1-21-9-10-22-20(27)14-7-8-16-15(11-14)18(26-25-16)19-23-12-17(24-19)13-5-3-2-4-6-13/h2-8,11-12,21H,9-10H2,1H3,(H,22,27)(H,23,24)(H,25,26)
InChIKeyRMTICEBZFBMIPO-UHFFFAOYSA-N
XLogP2.57
TPSA98.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(methylamino)ethyl]-3-(5-phenyl-1H-imidazol-2-yl)-1H-indazole-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

tert-butyl N-[3-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1H-indazole-5-carbonyl]amino]propyl]carbamate
CID 172633260
4-methyl-5-[3-(5-phenyl-1H-imidazol-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 135992344
3-(4-fluorophenyl)-N-(3-hydroxypropyl)-1H-indazole-5-carboxamide
CID 20789056
3-(3-fluorophenyl)-N-(5-hydroxy-3-methylpentyl)-1H-indazole-5-carboxamide
CID 175236372
N-(cyclopropylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide
CID 22260995
2-[2-(1H-imidazol-2-yl)phenyl]-N-[2-(methylamino)ethyl]-3H-benzimidazole-5-carboxamide
CID 11325864
tert-butyl 3-[[3-(4-fluorophenyl)-1H-indazole-5-carbonyl]amino]propanoate
CID 22480139
N-(3-chlorophenyl)-3-phenyl-1H-indazole-5-carboxamide
CID 162666626
N-(2-acetamidoethyl)-2-phenyl-3H-benzimidazole-5-carboxamide
CID 110766096
3-[[3-(1-benzofuran-2-yl)-1H-indazole-5-carbonyl]amino]propyl-dimethylazanium
CID 142112571
4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]benzoic acid
CID 22479735
N-(2-benzamidoethyl)-2-phenylpyrimidine-5-carboxamide
CID 47781848

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-3-(5-phenyl-1H-imidazol-2-yl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[2-(methylamino)ethyl]-3-(5-phenyl-1H-imidazol-2-yl)-1H-indazole-5-carboxamide (CID 171830421) is N-[2-(methylamino)ethyl]-3-(5-phenyl-1H-imidazol-2-yl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]-3-(5-phenyl-1H-imidazol-2-yl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[2-(methylamino)ethyl]-3-(5-phenyl-1H-imidazol-2-yl)-1H-indazole-5-carboxamide is CNCCNC(=O)c1ccc2[nH]nc(-c3ncc(-c4ccccc4)[nH]3)c2c1.
What is the InChIKey of N-[2-(methylamino)ethyl]-3-(5-phenyl-1H-imidazol-2-yl)-1H-indazole-5-carboxamide?
The InChIKey is RMTICEBZFBMIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-21-9-10-22-20(27)14-7-8-16-15(11-14)18(26-25-16)19-23-12-17(24-19)13-5-3-2-4-6-13/h2-8,11-12,21H,9-10H2,1H3,(H,22,27)(H,23,24)(H,25,26).
What are the key properties of N-[2-(methylamino)ethyl]-3-(5-phenyl-1H-imidazol-2-yl)-1H-indazole-5-carboxamide?
N-[2-(methylamino)ethyl]-3-(5-phenyl-1H-imidazol-2-yl)-1H-indazole-5-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.57, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-3-(5-phenyl-1H-imidazol-2-yl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 171830421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).