N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

C21H20FN5O2 — CID 138043434

IUPACN-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESO=C(Nc1cccc(CNC(=O)N2CCn3cncc3C2)c1)c1ccc(F)cc1
InChIInChI=1S/C21H20FN5O2/c22-17-6-4-16(5-7-17)20(28)25-18-3-1-2-15(10-18)11-24-21(29)26-8-9-27-14-23-12-19(27)13-26/h1-7,10,12,14H,8-9,11,13H2,(H,24,29)(H,25,28)
InChIKeyOSEGUJSGOCTJDL-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.00
Rot. Bonds4

About N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 138043434) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID138043434
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC NameN-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESO=C(Nc1cccc(CNC(=O)N2CCn3cncc3C2)c1)c1ccc(F)cc1
InChIInChI=1S/C21H20FN5O2/c22-17-6-4-16(5-7-17)20(28)25-18-3-1-2-15(10-18)11-24-21(29)26-8-9-27-14-23-12-19(27)13-26/h1-7,10,12,14H,8-9,11,13H2,(H,24,29)(H,25,28)
InChIKeyOSEGUJSGOCTJDL-UHFFFAOYSA-N
XLogP3.00
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide with MolForge

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Related Compounds

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2,3-dichloro-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide
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3-bromo-N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (CID 138043434) is N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is O=C(Nc1cccc(CNC(=O)N2CCn3cncc3C2)c1)c1ccc(F)cc1.
What is the InChIKey of N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is OSEGUJSGOCTJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c22-17-6-4-16(5-7-17)20(28)25-18-3-1-2-15(10-18)11-24-21(29)26-8-9-27-14-23-12-19(27)13-26/h1-7,10,12,14H,8-9,11,13H2,(H,24,29)(H,25,28).
What are the key properties of N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 138043434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).