(2Z,4E)-2-amino-N-benzyl-5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]hepta-2,4,6-trienamide

C23H20F3N5O — CID 89354101

IUPAC(2Z,4E)-2-amino-N-benzyl-5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]hepta-2,4,6-trienamide
SMILESC=C/C(=C\C=C(/N)C(=O)NCc1ccccc1)n1nc(-c2cccnc2)cc1C(F)(F)F
InChIInChI=1S/C23H20F3N5O/c1-2-18(10-11-19(27)22(32)29-14-16-7-4-3-5-8-16)31-21(23(24,25)26)13-20(30-31)17-9-6-12-28-15-17/h2-13,15H,1,14,27H2,(H,29,32)/b18-10+,19-11-
InChIKeyVLOQDXNJGUODHS-PAUOAVIZSA-N
MW439.44 g/mol
LogP4.15
Rot. Bonds7

About (2Z,4E)-2-amino-N-benzyl-5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]hepta-2,4,6-trienamide

(2Z,4E)-2-amino-N-benzyl-5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]hepta-2,4,6-trienamide (PubChem CID 89354101) has the molecular formula C23H20F3N5O and a molecular weight of 439.44 g/mol. Its IUPAC name is (2Z,4E)-2-amino-N-benzyl-5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]hepta-2,4,6-trienamide.

Molecular Properties

Compound Name(2Z,4E)-2-amino-N-benzyl-5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]hepta-2,4,6-trienamide
PubChem CID89354101
Molecular FormulaC23H20F3N5O
Molecular Weight439.44 g/mol
Exact Mass439.16
IUPAC Name(2Z,4E)-2-amino-N-benzyl-5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]hepta-2,4,6-trienamide
SMILESC=C/C(=C\C=C(/N)C(=O)NCc1ccccc1)n1nc(-c2cccnc2)cc1C(F)(F)F
InChIInChI=1S/C23H20F3N5O/c1-2-18(10-11-19(27)22(32)29-14-16-7-4-3-5-8-16)31-21(23(24,25)26)13-20(30-31)17-9-6-12-28-15-17/h2-13,15H,1,14,27H2,(H,29,32)/b18-10+,19-11-
InChIKeyVLOQDXNJGUODHS-PAUOAVIZSA-N
XLogP4.15
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.44
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4E)-2-amino-N-benzyl-5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]hepta-2,4,6-trienamide 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-[5-(benzylamino)-3-pyridin-3-ylpyrazol-1-yl]ethanone
CID 67454284
N,N,N',N'-tetramethyl-2-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]prop-1-ene-1,3-diamine
CID 91173131
(Z)-N-methyl-4-methylimino-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]but-2-en-1-amine
CID 143484266
(2Z)-2-aminooxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]penta-2,4-dienamide
CID 89354169
N-benzyl-5-pyridin-4-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 67132884
2-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazine-1-carboxamide
CID 173142910
N-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 89354150
[5-(benzylamino)-3-pyridin-3-ylpyrazol-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 71253846
4-[(prop-2-enoylamino)methyl]-N-[pyridin-3-yl-[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 154858591
2-pyridin-4-yl-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 154270793
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422
ethane;(2Z)-2-ethenyl-3-[[2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methylcarbamoyl]penta-2,4-dienoic acid
CID 144826421

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-2-amino-N-benzyl-5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]hepta-2,4,6-trienamide?
The IUPAC name of (2Z,4E)-2-amino-N-benzyl-5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]hepta-2,4,6-trienamide (CID 89354101) is (2Z,4E)-2-amino-N-benzyl-5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]hepta-2,4,6-trienamide.
What is the SMILES notation for (2Z,4E)-2-amino-N-benzyl-5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]hepta-2,4,6-trienamide?
The canonical SMILES for (2Z,4E)-2-amino-N-benzyl-5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]hepta-2,4,6-trienamide is C=C/C(=C\C=C(/N)C(=O)NCc1ccccc1)n1nc(-c2cccnc2)cc1C(F)(F)F.
What is the InChIKey of (2Z,4E)-2-amino-N-benzyl-5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]hepta-2,4,6-trienamide?
The InChIKey is VLOQDXNJGUODHS-PAUOAVIZSA-N. The full InChI is InChI=1S/C23H20F3N5O/c1-2-18(10-11-19(27)22(32)29-14-16-7-4-3-5-8-16)31-21(23(24,25)26)13-20(30-31)17-9-6-12-28-15-17/h2-13,15H,1,14,27H2,(H,29,32)/b18-10+,19-11-.
What are the key properties of (2Z,4E)-2-amino-N-benzyl-5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]hepta-2,4,6-trienamide?
(2Z,4E)-2-amino-N-benzyl-5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]hepta-2,4,6-trienamide has a molecular weight of 439.44 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-2-amino-N-benzyl-5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]hepta-2,4,6-trienamide is sourced from PubChem (CID 89354101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).