3-fluoro-N-[(2R,3R)-3-fluoro-1-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-4-methoxybutan-2-yl]-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzamide

C23H23F3N6O2 — CID 155110679

IUPAC3-fluoro-N-[(2R,3R)-3-fluoro-1-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-4-methoxybutan-2-yl]-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzamide
SMILES[H]/N=C/C=N\NC[C@@H](NC(=O)c1cccc(F)c1-c1cc(-c2ccc(F)cc2)n[nH]1)[C@@H](F)COC
InChIInChI=1S/C23H23F3N6O2/c1-34-13-18(26)21(12-29-28-10-9-27)30-23(33)16-3-2-4-17(25)22(16)20-11-19(31-32-20)14-5-7-15(24)8-6-14/h2-11,18,21,27,29H,12-13H2,1H3,(H,30,33)(H,31,32)/b27-9+,28-10-/t18-,21+/m0/s1
InChIKeyZBBYVSNIPJUHSO-YRLUMMPPSA-N
MW472.47 g/mol
LogP3.33
Rot. Bonds11

About 3-fluoro-N-[(2R,3R)-3-fluoro-1-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-4-methoxybutan-2-yl]-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzamide

3-fluoro-N-[(2R,3R)-3-fluoro-1-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-4-methoxybutan-2-yl]-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzamide (PubChem CID 155110679) has the molecular formula C23H23F3N6O2 and a molecular weight of 472.47 g/mol. Its IUPAC name is 3-fluoro-N-[(2R,3R)-3-fluoro-1-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-4-methoxybutan-2-yl]-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(2R,3R)-3-fluoro-1-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-4-methoxybutan-2-yl]-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzamide
PubChem CID155110679
Molecular FormulaC23H23F3N6O2
Molecular Weight472.47 g/mol
Exact Mass472.18
IUPAC Name3-fluoro-N-[(2R,3R)-3-fluoro-1-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-4-methoxybutan-2-yl]-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzamide
SMILES[H]/N=C/C=N\NC[C@@H](NC(=O)c1cccc(F)c1-c1cc(-c2ccc(F)cc2)n[nH]1)[C@@H](F)COC
InChIInChI=1S/C23H23F3N6O2/c1-34-13-18(26)21(12-29-28-10-9-27)30-23(33)16-3-2-4-17(25)22(16)20-11-19(31-32-20)14-5-7-15(24)8-6-14/h2-11,18,21,27,29H,12-13H2,1H3,(H,30,33)(H,31,32)/b27-9+,28-10-/t18-,21+/m0/s1
InChIKeyZBBYVSNIPJUHSO-YRLUMMPPSA-N
XLogP3.33
TPSA115.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.47
LogP ≤ 53.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-fluoro-N-[(2R,3R)-3-fluoro-1-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-4-methoxybutan-2-yl]-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]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

3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R,3R)-4-hydroxy-3-methoxy-1-pyrimidin-2-ylbutan-2-yl]benzamide
CID 135138287
N-[(2R,3S)-3,4-dihydroxy-1-phenylbutan-2-yl]-3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzamide
CID 135138062
3-fluoro-N-[(2R,3S)-4-fluoro-3-methoxy-1-pyrazol-1-ylbutan-2-yl]-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzamide
CID 135138664
3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R,3S)-4-hydroxy-3-methoxy-1-(1,3-thiazol-4-yl)butan-2-yl]benzamide
CID 135138692
3-fluoro-N-[(2R,3R)-3-fluoro-4-hydroxy-1-pyrazol-1-ylbutan-2-yl]-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzamide
CID 135138561
N-[(2S,3S)-3,4-dihydroxy-1-pyridin-2-ylbutan-2-yl]-3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzamide
CID 135138104
N-[(2R,3R)-3,4-dihydroxy-1-pyridin-2-ylbutan-2-yl]-3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzamide
CID 135138633
N-[(2R,3R)-4-acetamido-3-hydroxy-1-(triazol-2-yl)butan-2-yl]-3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzamide
CID 135138099
3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyrazin-2-ylpropan-2-yl]benzamide
CID 135132968
N-[(2R)-3-ethoxy-4-hydroxy-1-pyridin-2-ylbutan-2-yl]-3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzamide
CID 145217560
3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 135138260
methyl (2R)-2-[[2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-3-fluorobenzoyl]amino]-3-pyridin-2-ylpropanoate
CID 140879462

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(2R,3R)-3-fluoro-1-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-4-methoxybutan-2-yl]-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzamide?
The IUPAC name of 3-fluoro-N-[(2R,3R)-3-fluoro-1-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-4-methoxybutan-2-yl]-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzamide (CID 155110679) is 3-fluoro-N-[(2R,3R)-3-fluoro-1-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-4-methoxybutan-2-yl]-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[(2R,3R)-3-fluoro-1-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-4-methoxybutan-2-yl]-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[(2R,3R)-3-fluoro-1-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-4-methoxybutan-2-yl]-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzamide is [H]/N=C/C=N\NC[C@@H](NC(=O)c1cccc(F)c1-c1cc(-c2ccc(F)cc2)n[nH]1)[C@@H](F)COC.
What is the InChIKey of 3-fluoro-N-[(2R,3R)-3-fluoro-1-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-4-methoxybutan-2-yl]-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzamide?
The InChIKey is ZBBYVSNIPJUHSO-YRLUMMPPSA-N. The full InChI is InChI=1S/C23H23F3N6O2/c1-34-13-18(26)21(12-29-28-10-9-27)30-23(33)16-3-2-4-17(25)22(16)20-11-19(31-32-20)14-5-7-15(24)8-6-14/h2-11,18,21,27,29H,12-13H2,1H3,(H,30,33)(H,31,32)/b27-9+,28-10-/t18-,21+/m0/s1.
What are the key properties of 3-fluoro-N-[(2R,3R)-3-fluoro-1-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-4-methoxybutan-2-yl]-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzamide?
3-fluoro-N-[(2R,3R)-3-fluoro-1-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-4-methoxybutan-2-yl]-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzamide has a molecular weight of 472.47 g/mol, XLogP of 3.33, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(2R,3R)-3-fluoro-1-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-4-methoxybutan-2-yl]-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzamide is sourced from PubChem (CID 155110679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).