N-(5-bromo-2-pyridinyl)-5-methyl-2-[4-(piperidine-1-carboximidoyl)phenyl]pyrazole-3-carboxamide

C22H23BrN6O — CID 20595351

IUPACN-(5-bromo-2-pyridinyl)-5-methyl-2-[4-(piperidine-1-carboximidoyl)phenyl]pyrazole-3-carboxamide
SMILES[H]/N=C(/c1ccc(-n2nc(C)cc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCCC1
InChIInChI=1S/C22H23BrN6O/c1-15-13-19(22(30)26-20-10-7-17(23)14-25-20)29(27-15)18-8-5-16(6-9-18)21(24)28-11-3-2-4-12-28/h5-10,13-14,24H,2-4,11-12H2,1H3,(H,25,26,30)/b24-21-
InChIKeyKQBYNDBHEPVTBT-FLFQWRMESA-N
MW467.37 g/mol
LogP4.40
Rot. Bonds4

About N-(5-bromo-2-pyridinyl)-5-methyl-2-[4-(piperidine-1-carboximidoyl)phenyl]pyrazole-3-carboxamide

N-(5-bromo-2-pyridinyl)-5-methyl-2-[4-(piperidine-1-carboximidoyl)phenyl]pyrazole-3-carboxamide (PubChem CID 20595351) has the molecular formula C22H23BrN6O and a molecular weight of 467.37 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-5-methyl-2-[4-(piperidine-1-carboximidoyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-5-methyl-2-[4-(piperidine-1-carboximidoyl)phenyl]pyrazole-3-carboxamide
PubChem CID20595351
Molecular FormulaC22H23BrN6O
Molecular Weight467.37 g/mol
Exact Mass466.11
IUPAC NameN-(5-bromo-2-pyridinyl)-5-methyl-2-[4-(piperidine-1-carboximidoyl)phenyl]pyrazole-3-carboxamide
SMILES[H]/N=C(/c1ccc(-n2nc(C)cc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCCC1
InChIInChI=1S/C22H23BrN6O/c1-15-13-19(22(30)26-20-10-7-17(23)14-25-20)29(27-15)18-8-5-16(6-9-18)21(24)28-11-3-2-4-12-28/h5-10,13-14,24H,2-4,11-12H2,1H3,(H,25,26,30)/b24-21-
InChIKeyKQBYNDBHEPVTBT-FLFQWRMESA-N
XLogP4.40
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.37
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-(5-bromo-2-pyridinyl)-5-methyl-2-[4-(piperidine-1-carboximidoyl)phenyl]pyrazole-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-(5-bromo-2-pyridinyl)-5-methyl-2-[4-(morpholine-4-carboximidoyl)phenyl]pyrazole-3-carboxamide
CID 20595350
N-(5-bromo-2-pyridinyl)-5-fluoro-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 10279176
N-(5-bromo-2-pyridinyl)-5-chloro-3-methoxy-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 18728074
N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide
CID 59089739
N-(5-bromo-2-pyridinyl)-5-chloro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 162069511
N-(5-bromo-2-pyridinyl)-2-[[4-(piperazine-1-carboximidoyl)benzoyl]amino]benzamide
CID 18728050
N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 18728187
5-methyl-N-[4-(piperidine-1-carboximidoyl)phenyl]-2-(3-sulfamoylnaphthalen-2-yl)pyrazole-3-carboxamide
CID 20595110
5-chloro-N-(5-methyl-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 59020840
CID 89063515
CID 89063515
3-ethoxy-5-methyl-N-(5-methyl-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 70670924
N-(5-bromo-2-pyridinyl)-3-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide
CID 22596357

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-5-methyl-2-[4-(piperidine-1-carboximidoyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-5-methyl-2-[4-(piperidine-1-carboximidoyl)phenyl]pyrazole-3-carboxamide (CID 20595351) is N-(5-bromo-2-pyridinyl)-5-methyl-2-[4-(piperidine-1-carboximidoyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-5-methyl-2-[4-(piperidine-1-carboximidoyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-5-methyl-2-[4-(piperidine-1-carboximidoyl)phenyl]pyrazole-3-carboxamide is [H]/N=C(/c1ccc(-n2nc(C)cc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCCC1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-5-methyl-2-[4-(piperidine-1-carboximidoyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is KQBYNDBHEPVTBT-FLFQWRMESA-N. The full InChI is InChI=1S/C22H23BrN6O/c1-15-13-19(22(30)26-20-10-7-17(23)14-25-20)29(27-15)18-8-5-16(6-9-18)21(24)28-11-3-2-4-12-28/h5-10,13-14,24H,2-4,11-12H2,1H3,(H,25,26,30)/b24-21-.
What are the key properties of N-(5-bromo-2-pyridinyl)-5-methyl-2-[4-(piperidine-1-carboximidoyl)phenyl]pyrazole-3-carboxamide?
N-(5-bromo-2-pyridinyl)-5-methyl-2-[4-(piperidine-1-carboximidoyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 467.37 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-5-methyl-2-[4-(piperidine-1-carboximidoyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 20595351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).