7-(1,3-benzodioxole-5-carbonyl)-2-[(4-fluorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

C21H20FN3O4 — CID 163016908

IUPAC7-(1,3-benzodioxole-5-carbonyl)-2-[(4-fluorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESO=C(c1ccc2c(c1)OCO2)N1CCN2C(=O)N(Cc3ccc(F)cc3)CC2C1
InChIInChI=1S/C21H20FN3O4/c22-16-4-1-14(2-5-16)10-24-12-17-11-23(7-8-25(17)21(24)27)20(26)15-3-6-18-19(9-15)29-13-28-18/h1-6,9,17H,7-8,10-13H2
InChIKeyNCISVCXESRTRRF-UHFFFAOYSA-N
MW397.41 g/mol
LogP2.32
Rot. Bonds3

About 7-(1,3-benzodioxole-5-carbonyl)-2-[(4-fluorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

7-(1,3-benzodioxole-5-carbonyl)-2-[(4-fluorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 163016908) has the molecular formula C21H20FN3O4 and a molecular weight of 397.41 g/mol. Its IUPAC name is 7-(1,3-benzodioxole-5-carbonyl)-2-[(4-fluorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(1,3-benzodioxole-5-carbonyl)-2-[(4-fluorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID163016908
Molecular FormulaC21H20FN3O4
Molecular Weight397.41 g/mol
Exact Mass397.14
IUPAC Name7-(1,3-benzodioxole-5-carbonyl)-2-[(4-fluorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESO=C(c1ccc2c(c1)OCO2)N1CCN2C(=O)N(Cc3ccc(F)cc3)CC2C1
InChIInChI=1S/C21H20FN3O4/c22-16-4-1-14(2-5-16)10-24-12-17-11-23(7-8-25(17)21(24)27)20(26)15-3-6-18-19(9-15)29-13-28-18/h1-6,9,17H,7-8,10-13H2
InChIKeyNCISVCXESRTRRF-UHFFFAOYSA-N
XLogP2.32
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(1,3-benzodioxole-5-carbonyl)-2-[(4-fluorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-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

7-benzoyl-2-[(4-fluorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 162841153
1,3-benzodioxol-5-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 17483209
1,3-benzodioxol-5-yl-(4-benzylpiperazin-1-yl)methanone
CID 803605
1-(1,3-benzodioxole-5-carbonyl)-N-[2-(4-fluorophenyl)ethyl]azetidine-3-carboxamide
CID 90512937
1-benzyl-3-[1-(4-fluorobenzoyl)piperidin-4-yl]imidazolidin-2-one
CID 50789317
1,3-benzodioxol-5-yl-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 66195384
(8aS)-7-(1,3-benzodioxole-5-carbonyl)-2-prop-2-enyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 7682566
1,3-benzodioxol-5-yl-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 9370807
(3R,4S)-1-(1,3-benzodioxole-5-carbonyl)-3-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-3-carboxylic acid
CID 164693713
3-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121017222
1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-3-(4-chlorophenyl)propan-1-one
CID 108536946
[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 90512943

Frequently Asked Questions

What is the IUPAC name of 7-(1,3-benzodioxole-5-carbonyl)-2-[(4-fluorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-(1,3-benzodioxole-5-carbonyl)-2-[(4-fluorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 163016908) is 7-(1,3-benzodioxole-5-carbonyl)-2-[(4-fluorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-(1,3-benzodioxole-5-carbonyl)-2-[(4-fluorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-(1,3-benzodioxole-5-carbonyl)-2-[(4-fluorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is O=C(c1ccc2c(c1)OCO2)N1CCN2C(=O)N(Cc3ccc(F)cc3)CC2C1.
What is the InChIKey of 7-(1,3-benzodioxole-5-carbonyl)-2-[(4-fluorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is NCISVCXESRTRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O4/c22-16-4-1-14(2-5-16)10-24-12-17-11-23(7-8-25(17)21(24)27)20(26)15-3-6-18-19(9-15)29-13-28-18/h1-6,9,17H,7-8,10-13H2.
What are the key properties of 7-(1,3-benzodioxole-5-carbonyl)-2-[(4-fluorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
7-(1,3-benzodioxole-5-carbonyl)-2-[(4-fluorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 397.41 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3-benzodioxole-5-carbonyl)-2-[(4-fluorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 163016908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).