2-fluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzamide

C23H24FN3O3 — CID 162655325

IUPAC2-fluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzamide
SMILESCc1cc(F)c(C(=O)N[C@H]2CCOC[C@@H]2O)cc1Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C23H24FN3O3/c1-15-11-20(24)19(23(29)26-21-7-10-30-14-22(21)28)13-17(15)12-16-3-5-18(6-4-16)27-9-2-8-25-27/h2-6,8-9,11,13,21-22,28H,7,10,12,14H2,1H3,(H,26,29)/t21-,22-/m0/s1
InChIKeyCYFGTMXTJBDJMC-VXKWHMMOSA-N
MW409.46 g/mol
LogP2.79
Rot. Bonds5

About 2-fluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzamide

2-fluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzamide (PubChem CID 162655325) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is 2-fluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzamide
PubChem CID162655325
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name2-fluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzamide
SMILESCc1cc(F)c(C(=O)N[C@H]2CCOC[C@@H]2O)cc1Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C23H24FN3O3/c1-15-11-20(24)19(23(29)26-21-7-10-30-14-22(21)28)13-17(15)12-16-3-5-18(6-4-16)27-9-2-8-25-27/h2-6,8-9,11,13,21-22,28H,7,10,12,14H2,1H3,(H,26,29)/t21-,22-/m0/s1
InChIKeyCYFGTMXTJBDJMC-VXKWHMMOSA-N
XLogP2.79
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]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

Tak-071
CID 92042879
N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 118663182
2-[(3R,4S)-3-hydroxyoxan-4-yl]-6-methyl-7-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydroisoquinolin-1-one
CID 137632077
2-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-6-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one
CID 137641384
2-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-6-[(4-pyrazol-1-ylphenyl)methyl]-3H-isoindol-1-one
CID 137654747
N-[(3R,4S)-3-hydroxyoxan-4-yl]-1,6-dimethyl-2-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide
CID 162646208
N-[(3R,4S)-3-hydroxyoxan-4-yl]-6-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide
CID 162646270
N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 162654237
1-fluoro-N-((3RS,4SR)-3-hydroxytetrahydro-2H-pyran-4-yl)-4-((6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)methyl)-2-naphthamide
CID 91826223
1-fluoro-N-((3S,4S)-4-hydroxytetrahydro-2H-pyran-3-yl)-4-((6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)-methyl)-2-naphthamide
CID 118257483
1-fluoro-N-[(3S,4R)-3-hydroxytetra-hydropyran-4-yl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridyl]methyl]-naphthalene-2-carboxamide
CID 118266814
N-(1-(4-fluorophenyl)-1H-pyrazol-4-yl)-3-(trans-2-(tetrahydro-2H-pyran-4-ylamino)cyclo-propyl)benzamide dihydrochloride
CID 118304941

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzamide?
The IUPAC name of 2-fluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzamide (CID 162655325) is 2-fluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzamide is Cc1cc(F)c(C(=O)N[C@H]2CCOC[C@@H]2O)cc1Cc1ccc(-n2cccn2)cc1.
What is the InChIKey of 2-fluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzamide?
The InChIKey is CYFGTMXTJBDJMC-VXKWHMMOSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-15-11-20(24)19(23(29)26-21-7-10-30-14-22(21)28)13-17(15)12-16-3-5-18(6-4-16)27-9-2-8-25-27/h2-6,8-9,11,13,21-22,28H,7,10,12,14H2,1H3,(H,26,29)/t21-,22-/m0/s1.
What are the key properties of 2-fluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzamide?
2-fluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzamide has a molecular weight of 409.46 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 162655325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).