N-(3-fluorophenyl)-2-[(6R)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide

C19H16FN5O3 — CID 135950481

IUPACN-(3-fluorophenyl)-2-[(6R)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
SMILESCOc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2cccc(F)c2)C(=O)N3)cc1
InChIInChI=1S/C19H16FN5O3/c1-28-14-7-5-11(6-8-14)17-22-19-23-18(27)15(25(19)24-17)10-16(26)21-13-4-2-3-12(20)9-13/h2-9,15H,10H2,1H3,(H,21,26)(H,22,23,24,27)/t15-/m1/s1
InChIKeyGAJNPIVEJVYLHI-OAHLLOKOSA-N
MW381.37 g/mol
LogP2.61
Rot. Bonds5

About N-(3-fluorophenyl)-2-[(6R)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide

N-(3-fluorophenyl)-2-[(6R)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide (PubChem CID 135950481) has the molecular formula C19H16FN5O3 and a molecular weight of 381.37 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[(6R)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[(6R)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
PubChem CID135950481
Molecular FormulaC19H16FN5O3
Molecular Weight381.37 g/mol
Exact Mass381.12
IUPAC NameN-(3-fluorophenyl)-2-[(6R)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
SMILESCOc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2cccc(F)c2)C(=O)N3)cc1
InChIInChI=1S/C19H16FN5O3/c1-28-14-7-5-11(6-8-14)17-22-19-23-18(27)15(25(19)24-17)10-16(26)21-13-4-2-3-12(20)9-13/h2-9,15H,10H2,1H3,(H,21,26)(H,22,23,24,27)/t15-/m1/s1
InChIKeyGAJNPIVEJVYLHI-OAHLLOKOSA-N
XLogP2.61
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-2-[(6S)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135902818
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135629444
N-(2-fluorophenyl)-2-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135650065
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135650071
N-(4-acetylphenyl)-2-[(6S)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135950729
N-(4-acetylphenyl)-2-[(6R)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135950728
2-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 135650049
N-(4-fluorophenyl)-2-(5-oxo-2-phenyl-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135635975
N-(3,4-difluorophenyl)-2-[2-(4-methylphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135993921
N-(5-chloro-2-methoxyphenyl)-2-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135650076
2-[2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 135650045
N-(3,4-dichlorophenyl)-2-[(6S)-2-(4-methylphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135902882

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[(6R)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[(6R)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide (CID 135950481) is N-(3-fluorophenyl)-2-[(6R)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[(6R)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[(6R)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide is COc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2cccc(F)c2)C(=O)N3)cc1.
What is the InChIKey of N-(3-fluorophenyl)-2-[(6R)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide?
The InChIKey is GAJNPIVEJVYLHI-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H16FN5O3/c1-28-14-7-5-11(6-8-14)17-22-19-23-18(27)15(25(19)24-17)10-16(26)21-13-4-2-3-12(20)9-13/h2-9,15H,10H2,1H3,(H,21,26)(H,22,23,24,27)/t15-/m1/s1.
What are the key properties of N-(3-fluorophenyl)-2-[(6R)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide?
N-(3-fluorophenyl)-2-[(6R)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide has a molecular weight of 381.37 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[(6R)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide is sourced from PubChem (CID 135950481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).