5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-propylpyridin-2-one

C23H22F2N4O — CID 10364093

IUPAC5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-propylpyridin-2-one
SMILESCCCn1cc(C2=N[C@@H](C)[C@](c3ccc(F)cc3)(c3ccc(F)nc3)N2)ccc1=O
InChIInChI=1S/C23H22F2N4O/c1-3-12-29-14-16(4-11-21(29)30)22-27-15(2)23(28-22,17-5-8-19(24)9-6-17)18-7-10-20(25)26-13-18/h4-11,13-15H,3,12H2,1-2H3,(H,27,28)/t15-,23-/m0/s1
InChIKeyLSLQFUYTMXHXKN-WNSKOXEYSA-N
MW408.45 g/mol
LogP3.61
Rot. Bonds5

About 5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-propylpyridin-2-one

5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-propylpyridin-2-one (PubChem CID 10364093) has the molecular formula C23H22F2N4O and a molecular weight of 408.45 g/mol. Its IUPAC name is 5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-propylpyridin-2-one.

Molecular Properties

Compound Name5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-propylpyridin-2-one
PubChem CID10364093
Molecular FormulaC23H22F2N4O
Molecular Weight408.45 g/mol
Exact Mass408.18
IUPAC Name5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-propylpyridin-2-one
SMILESCCCn1cc(C2=N[C@@H](C)[C@](c3ccc(F)cc3)(c3ccc(F)nc3)N2)ccc1=O
InChIInChI=1S/C23H22F2N4O/c1-3-12-29-14-16(4-11-21(29)30)22-27-15(2)23(28-22,17-5-8-19(24)9-6-17)18-7-10-20(25)26-13-18/h4-11,13-15H,3,12H2,1-2H3,(H,27,28)/t15-,23-/m0/s1
InChIKeyLSLQFUYTMXHXKN-WNSKOXEYSA-N
XLogP3.61
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-propylpyridin-2-one 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

Asp-5854
CID 24810000
AZ-4217
CID 57406537
Tagorizine
CID 6436051
2-[3-(2,2-Difluoro-2-pyridin-2-yl-ethylamino)-6-methyl-2-oxo-2H-pyrazin-1-yl]-N-(3-fluoro-4-methyl-pyridin-2-ylmethyl)-acetamide
CID 447221
2-[6-Cyano-3-(2,2-difluoro-2-pyridin-2-yl-ethylamino)-2-oxo-2H-pyrazin-1-yl]-N-(3-fluoro-4-methyl-pyridin-2-ylmethyl)-acetamide
CID 9911960
2-[6-Chloro-3-(2,2-difluoro-2-pyridin-2-yl-ethylamino)-2-oxo-2H-pyrazin-1-yl]-N-(3-fluoro-4-methyl-pyridin-2-ylmethyl)-acetamide
CID 11762405
3-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoro-3-pyridyl)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]benzonitrile
CID 44139479
(R)-5-(3-Amino-4-fluoro-1-(3-(4-(prop-1-ynyl)pyridin-2-yl)phenyl)-1H-isoindol-1-yl)-1-ethyl-3-methylpyridin-2(1H)-one
CID 57407296
2-imino-10-methyl-5-oxo-1-phenethyl-N-(pyridin-3-ylmethyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
CID 1077312
N-[(6-carbamimidoylpyridin-3-yl)methyl]-2-{2-oxo-6-phenyl-3-[(2-phenylethyl)amino]-1,2-dihydropyrazin-1-yl}acetamide
CID 11762589
2-[(5S)-4,4-Bis(4-fluorophenyl)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinecarbonitrile
CID 44139234
5-[(1R)-3-amino-4,6-difluoro-1-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]isoindol-1-yl]-1-ethyl-3-methylpyridin-2-one
CID 71453617

Frequently Asked Questions

What is the IUPAC name of 5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-propylpyridin-2-one?
The IUPAC name of 5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-propylpyridin-2-one (CID 10364093) is 5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-propylpyridin-2-one.
What is the SMILES notation for 5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-propylpyridin-2-one?
The canonical SMILES for 5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-propylpyridin-2-one is CCCn1cc(C2=N[C@@H](C)[C@](c3ccc(F)cc3)(c3ccc(F)nc3)N2)ccc1=O.
What is the InChIKey of 5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-propylpyridin-2-one?
The InChIKey is LSLQFUYTMXHXKN-WNSKOXEYSA-N. The full InChI is InChI=1S/C23H22F2N4O/c1-3-12-29-14-16(4-11-21(29)30)22-27-15(2)23(28-22,17-5-8-19(24)9-6-17)18-7-10-20(25)26-13-18/h4-11,13-15H,3,12H2,1-2H3,(H,27,28)/t15-,23-/m0/s1.
What are the key properties of 5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-propylpyridin-2-one?
5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-propylpyridin-2-one has a molecular weight of 408.45 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]-1-propylpyridin-2-one is sourced from PubChem (CID 10364093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).