N-(3-fluorophenyl)-2-[3-(4-nitrophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]acetamide

C20H16FN5O4 — CID 53345617

IUPACN-(3-fluorophenyl)-2-[3-(4-nitrophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]acetamide
SMILESO=C(CC1CNC(=O)c2cnc(-c3ccc([N+](=O)[O-])cc3)n21)Nc1cccc(F)c1
InChIInChI=1S/C20H16FN5O4/c21-13-2-1-3-14(8-13)24-18(27)9-16-10-23-20(28)17-11-22-19(25(16)17)12-4-6-15(7-5-12)26(29)30/h1-8,11,16H,9-10H2,(H,23,28)(H,24,27)
InChIKeyYSJLENJHCGSXBY-UHFFFAOYSA-N
MW409.38 g/mol
LogP2.91
Rot. Bonds5

About N-(3-fluorophenyl)-2-[3-(4-nitrophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]acetamide

N-(3-fluorophenyl)-2-[3-(4-nitrophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]acetamide (PubChem CID 53345617) has the molecular formula C20H16FN5O4 and a molecular weight of 409.38 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[3-(4-nitrophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[3-(4-nitrophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]acetamide
PubChem CID53345617
Molecular FormulaC20H16FN5O4
Molecular Weight409.38 g/mol
Exact Mass409.12
IUPAC NameN-(3-fluorophenyl)-2-[3-(4-nitrophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]acetamide
SMILESO=C(CC1CNC(=O)c2cnc(-c3ccc([N+](=O)[O-])cc3)n21)Nc1cccc(F)c1
InChIInChI=1S/C20H16FN5O4/c21-13-2-1-3-14(8-13)24-18(27)9-16-10-23-20(28)17-11-22-19(25(16)17)12-4-6-15(7-5-12)26(29)30/h1-8,11,16H,9-10H2,(H,23,28)(H,24,27)
InChIKeyYSJLENJHCGSXBY-UHFFFAOYSA-N
XLogP2.91
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.38
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(3-fluorophenyl)-2-[3-(4-nitrophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]acetamide 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

N-(4-methylphenyl)-2-[3-(4-nitrophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]acetamide
CID 53345714
N-(2-fluorophenyl)-2-[3-(4-nitrophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]acetamide
CID 53345713
N-(3-fluorophenyl)-2-(4-nitrophenoxy)acetamide
CID 802614
N-(3-fluorophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide
CID 9250556
2-[5-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide
CID 1432612
2-(cyclopropylmethylamino)-N-(3-fluorophenyl)acetamide
CID 28566886
N-(3-fluorophenyl)-3-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]propanamide
CID 46560016
1-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-fluorophenyl)-N-methyl-6-oxopyrimidine-5-carboxamide
CID 53040197
N'-(3-fluorophenyl)-N-(3-nitrophenyl)oxamide
CID 108513374
(4-nitrophenyl)methyl N-(3-fluorophenyl)carbamate
CID 134125017
N-(3-fluorophenyl)-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 9072356
N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2-(4-nitrophenyl)acetamide
CID 90556928

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[3-(4-nitrophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[3-(4-nitrophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]acetamide (CID 53345617) is N-(3-fluorophenyl)-2-[3-(4-nitrophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[3-(4-nitrophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[3-(4-nitrophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]acetamide is O=C(CC1CNC(=O)c2cnc(-c3ccc([N+](=O)[O-])cc3)n21)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[3-(4-nitrophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]acetamide?
The InChIKey is YSJLENJHCGSXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O4/c21-13-2-1-3-14(8-13)24-18(27)9-16-10-23-20(28)17-11-22-19(25(16)17)12-4-6-15(7-5-12)26(29)30/h1-8,11,16H,9-10H2,(H,23,28)(H,24,27).
What are the key properties of N-(3-fluorophenyl)-2-[3-(4-nitrophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]acetamide?
N-(3-fluorophenyl)-2-[3-(4-nitrophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]acetamide has a molecular weight of 409.38 g/mol, XLogP of 2.91, 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-[3-(4-nitrophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]acetamide is sourced from PubChem (CID 53345617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).