4-[5-amino-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[2-(benzylamino)ethyl]benzamide

C26H25F3N6O — CID 44530386

IUPAC4-[5-amino-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[2-(benzylamino)ethyl]benzamide
SMILESCc1cc(C(F)(F)F)cc(-n2ncc(-c3ccc(C(=O)NCCNCc4ccccc4)cc3)c2N)n1
InChIInChI=1S/C26H25F3N6O/c1-17-13-21(26(27,28)29)14-23(34-17)35-24(30)22(16-33-35)19-7-9-20(10-8-19)25(36)32-12-11-31-15-18-5-3-2-4-6-18/h2-10,13-14,16,31H,11-12,15,30H2,1H3,(H,32,36)
InChIKeyMBZGPKYRNWTARB-UHFFFAOYSA-N
MW494.52 g/mol
LogP4.36
Rot. Bonds8

About 4-[5-amino-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[2-(benzylamino)ethyl]benzamide

4-[5-amino-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[2-(benzylamino)ethyl]benzamide (PubChem CID 44530386) has the molecular formula C26H25F3N6O and a molecular weight of 494.52 g/mol. Its IUPAC name is 4-[5-amino-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[2-(benzylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-[5-amino-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[2-(benzylamino)ethyl]benzamide
PubChem CID44530386
Molecular FormulaC26H25F3N6O
Molecular Weight494.52 g/mol
Exact Mass494.20
IUPAC Name4-[5-amino-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[2-(benzylamino)ethyl]benzamide
SMILESCc1cc(C(F)(F)F)cc(-n2ncc(-c3ccc(C(=O)NCCNCc4ccccc4)cc3)c2N)n1
InChIInChI=1S/C26H25F3N6O/c1-17-13-21(26(27,28)29)14-23(34-17)35-24(30)22(16-33-35)19-7-9-20(10-8-19)25(36)32-12-11-31-15-18-5-3-2-4-6-18/h2-10,13-14,16,31H,11-12,15,30H2,1H3,(H,32,36)
InChIKeyMBZGPKYRNWTARB-UHFFFAOYSA-N
XLogP4.36
TPSA97.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.52
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[5-amino-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[2-(benzylamino)ethyl]benzamide 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

4-[5-amino-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[(2-aminophenyl)methyl]benzamide
CID 44530384
N-[2-[(N-benzyl-N'-methylcarbamimidoyl)amino]ethyl]-4-(trifluoromethyl)benzamide;hydroiodide
CID 110952959
[2-imino-2-[5-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]ethyl] benzoate
CID 22302101
N-[2-[(4-iodophenyl)methylamino]ethyl]-4-methylbenzamide
CID 65476353
N-[2-[(5-fluoro-3-pyridinyl)methylamino]ethyl]-4-methylbenzamide
CID 104953550
4-amino-N-benzyl-2-methylquinoline-6-carboxamide
CID 15133405
1-benzyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide
CID 91239685
N-[2-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 55546139
2,3-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]quinoxaline-6-carboxamide
CID 108542144
3,4-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 108543008
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 133273965
N-[(3-methyloxetan-3-yl)methyl]-4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 119074839

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[2-(benzylamino)ethyl]benzamide?
The IUPAC name of 4-[5-amino-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[2-(benzylamino)ethyl]benzamide (CID 44530386) is 4-[5-amino-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[2-(benzylamino)ethyl]benzamide.
What is the SMILES notation for 4-[5-amino-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[2-(benzylamino)ethyl]benzamide?
The canonical SMILES for 4-[5-amino-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[2-(benzylamino)ethyl]benzamide is Cc1cc(C(F)(F)F)cc(-n2ncc(-c3ccc(C(=O)NCCNCc4ccccc4)cc3)c2N)n1.
What is the InChIKey of 4-[5-amino-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[2-(benzylamino)ethyl]benzamide?
The InChIKey is MBZGPKYRNWTARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N6O/c1-17-13-21(26(27,28)29)14-23(34-17)35-24(30)22(16-33-35)19-7-9-20(10-8-19)25(36)32-12-11-31-15-18-5-3-2-4-6-18/h2-10,13-14,16,31H,11-12,15,30H2,1H3,(H,32,36).
What are the key properties of 4-[5-amino-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[2-(benzylamino)ethyl]benzamide?
4-[5-amino-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[2-(benzylamino)ethyl]benzamide has a molecular weight of 494.52 g/mol, XLogP of 4.36, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-[2-(benzylamino)ethyl]benzamide is sourced from PubChem (CID 44530386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).