6-(4-fluorophenyl)-3-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione

C20H25FN6O3 — CID 51054335

IUPAC6-(4-fluorophenyl)-3-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCC(C)CN1CCN(C(=O)Cn2c(=O)nc3n2C(=O)N(c2ccc(F)cc2)C3)CC1
InChIInChI=1S/C20H25FN6O3/c1-14(2)11-23-7-9-24(10-8-23)18(28)13-26-19(29)22-17-12-25(20(30)27(17)26)16-5-3-15(21)4-6-16/h3-6,14H,7-13H2,1-2H3
InChIKeyFEYPFZWACJTIKM-UHFFFAOYSA-N
MW416.46 g/mol
LogP0.97
Rot. Bonds5

About 6-(4-fluorophenyl)-3-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione

6-(4-fluorophenyl)-3-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (PubChem CID 51054335) has the molecular formula C20H25FN6O3 and a molecular weight of 416.46 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
PubChem CID51054335
Molecular FormulaC20H25FN6O3
Molecular Weight416.46 g/mol
Exact Mass416.20
IUPAC Name6-(4-fluorophenyl)-3-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCC(C)CN1CCN(C(=O)Cn2c(=O)nc3n2C(=O)N(c2ccc(F)cc2)C3)CC1
InChIInChI=1S/C20H25FN6O3/c1-14(2)11-23-7-9-24(10-8-23)18(28)13-26-19(29)22-17-12-25(20(30)27(17)26)16-5-3-15(21)4-6-16/h3-6,14H,7-13H2,1-2H3
InChIKeyFEYPFZWACJTIKM-UHFFFAOYSA-N
XLogP0.97
TPSA83.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
6-(4-chlorophenyl)-3-ethyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
CID 45492457
methyl 2-[6-(3-methylphenyl)-2,5-dioxo-7H-imidazo[1,5-b][1,2,4]triazol-3-yl]acetate
CID 39337051
2-(2-fluorophenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 60590521
5-amino-1-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 62816002
1-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-1-one
CID 110922561
2-(3,4-dichlorophenoxy)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 55598057
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995416
(5-fluoro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134034137
2-[6-(4-methoxyphenyl)-2,5-dioxo-7H-imidazo[1,5-b][1,2,4]triazol-3-yl]acetonitrile
CID 39347906
6-(3-methoxyphenyl)-3-(3-methylbutyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
CID 52897925

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The IUPAC name of 6-(4-fluorophenyl)-3-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (CID 51054335) is 6-(4-fluorophenyl)-3-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.
What is the SMILES notation for 6-(4-fluorophenyl)-3-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The canonical SMILES for 6-(4-fluorophenyl)-3-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is CC(C)CN1CCN(C(=O)Cn2c(=O)nc3n2C(=O)N(c2ccc(F)cc2)C3)CC1.
What is the InChIKey of 6-(4-fluorophenyl)-3-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The InChIKey is FEYPFZWACJTIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN6O3/c1-14(2)11-23-7-9-24(10-8-23)18(28)13-26-19(29)22-17-12-25(20(30)27(17)26)16-5-3-15(21)4-6-16/h3-6,14H,7-13H2,1-2H3.
What are the key properties of 6-(4-fluorophenyl)-3-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
6-(4-fluorophenyl)-3-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione has a molecular weight of 416.46 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is sourced from PubChem (CID 51054335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).