N-[(3,5-difluorophenyl)methyl]-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide

C19H15F2N5O3 — CID 51049188

IUPACN-[(3,5-difluorophenyl)methyl]-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)nc2n1C(=O)N(c1ccccc1)C2)NCc1cc(F)cc(F)c1
InChIInChI=1S/C19H15F2N5O3/c20-13-6-12(7-14(21)8-13)9-22-17(27)11-25-18(28)23-16-10-24(19(29)26(16)25)15-4-2-1-3-5-15/h1-8H,9-11H2,(H,22,27)
InChIKeyCYPOJSVYULWBLK-UHFFFAOYSA-N
MW399.36 g/mol
LogP1.63
Rot. Bonds5

About N-[(3,5-difluorophenyl)methyl]-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide

N-[(3,5-difluorophenyl)methyl]-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide (PubChem CID 51049188) has the molecular formula C19H15F2N5O3 and a molecular weight of 399.36 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide
PubChem CID51049188
Molecular FormulaC19H15F2N5O3
Molecular Weight399.36 g/mol
Exact Mass399.11
IUPAC NameN-[(3,5-difluorophenyl)methyl]-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)nc2n1C(=O)N(c1ccccc1)C2)NCc1cc(F)cc(F)c1
InChIInChI=1S/C19H15F2N5O3/c20-13-6-12(7-14(21)8-13)9-22-17(27)11-25-18(28)23-16-10-24(19(29)26(16)25)15-4-2-1-3-5-15/h1-8H,9-11H2,(H,22,27)
InChIKeyCYPOJSVYULWBLK-UHFFFAOYSA-N
XLogP1.63
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-(4-chlorophenyl)-2,5-dioxo-7H-imidazo[1,5-b][1,2,4]triazol-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 51052499
N-(2-chlorophenyl)-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide
CID 45493255
3-(3-methylbut-2-enyl)-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
CID 51048480
N-[(3,5-difluorophenyl)methyl]-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide
CID 50834559
[(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[(3,5-difluorophenyl)methyl]carbamate
CID 118570607
6-(4-methoxyphenyl)-3-(3-phenylpropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
CID 51049294
2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 51138342
N-[(2-chlorophenyl)methyl]-2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]acetamide
CID 46948861
6-(3-methoxyphenyl)-3-(3-methylbutyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
CID 52897925
N-benzyl-2-(6-fluoroindol-1-yl)acetamide
CID 116619757
[(3R)-3-fluoro-2-oxo-1-phenylpyrrolidin-3-yl] N-[(3-chloro-5-fluorophenyl)methyl]carbamate
CID 118570590
N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-phenylpiperidine-3-carboxamide
CID 71745053

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide (CID 51049188) is N-[(3,5-difluorophenyl)methyl]-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide is O=C(Cn1c(=O)nc2n1C(=O)N(c1ccccc1)C2)NCc1cc(F)cc(F)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide?
The InChIKey is CYPOJSVYULWBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5O3/c20-13-6-12(7-14(21)8-13)9-22-17(27)11-25-18(28)23-16-10-24(19(29)26(16)25)15-4-2-1-3-5-15/h1-8H,9-11H2,(H,22,27).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide?
N-[(3,5-difluorophenyl)methyl]-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide has a molecular weight of 399.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide is sourced from PubChem (CID 51049188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).