3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-fluorobenzohydrazide

C14H16FN5O — CID 107458485

IUPAC3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-fluorobenzohydrazide
SMILESNNC(=O)c1ccc(F)c(CN2CCn3ccnc3C2)c1
InChIInChI=1S/C14H16FN5O/c15-12-2-1-10(14(21)18-16)7-11(12)8-19-5-6-20-4-3-17-13(20)9-19/h1-4,7H,5-6,8-9,16H2,(H,18,21)
InChIKeyKSDMIAVYSGHUQE-UHFFFAOYSA-N
MW289.31 g/mol
LogP0.64
Rot. Bonds3

About 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-fluorobenzohydrazide

3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-fluorobenzohydrazide (PubChem CID 107458485) has the molecular formula C14H16FN5O and a molecular weight of 289.31 g/mol. Its IUPAC name is 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-fluorobenzohydrazide.

Molecular Properties

Compound Name3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-fluorobenzohydrazide
PubChem CID107458485
Molecular FormulaC14H16FN5O
Molecular Weight289.31 g/mol
Exact Mass289.13
IUPAC Name3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-fluorobenzohydrazide
SMILESNNC(=O)c1ccc(F)c(CN2CCn3ccnc3C2)c1
InChIInChI=1S/C14H16FN5O/c15-12-2-1-10(14(21)18-16)7-11(12)8-19-5-6-20-4-3-17-13(20)9-19/h1-4,7H,5-6,8-9,16H2,(H,18,21)
InChIKeyKSDMIAVYSGHUQE-UHFFFAOYSA-N
XLogP0.64
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-fluorobenzohydrazide 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

3-bromo-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)benzoic acid
CID 102767640
3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458588
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(4-fluorophenyl)propan-1-one
CID 63027101
3-bromo-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)benzohydrazide
CID 102774711
3-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-3-fluorophenyl]prop-2-yn-1-amine
CID 63026444
3-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458852
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-fluorobenzonitrile
CID 103912112
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-5-methoxyphenol
CID 82980177
1-(3,4-dichlorophenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 63025214
3-[(2,3-dimethylthiomorpholin-4-yl)methyl]-4-fluorobenzohydrazide
CID 107458745
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)benzonitrile
CID 86774706
3-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107459005

Frequently Asked Questions

What is the IUPAC name of 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-fluorobenzohydrazide?
The IUPAC name of 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-fluorobenzohydrazide (CID 107458485) is 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-fluorobenzohydrazide.
What is the SMILES notation for 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-fluorobenzohydrazide?
The canonical SMILES for 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-fluorobenzohydrazide is NNC(=O)c1ccc(F)c(CN2CCn3ccnc3C2)c1.
What is the InChIKey of 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-fluorobenzohydrazide?
The InChIKey is KSDMIAVYSGHUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O/c15-12-2-1-10(14(21)18-16)7-11(12)8-19-5-6-20-4-3-17-13(20)9-19/h1-4,7H,5-6,8-9,16H2,(H,18,21).
What are the key properties of 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-fluorobenzohydrazide?
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-fluorobenzohydrazide has a molecular weight of 289.31 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-fluorobenzohydrazide is sourced from PubChem (CID 107458485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).