N'-amino-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine-6-carboximidamide

C14H13FN6 — CID 154003447

IUPACN'-amino-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine-6-carboximidamide
SMILESNN=C(N)c1cn2ccnc2c(Cc2ccccc2F)n1
InChIInChI=1S/C14H13FN6/c15-10-4-2-1-3-9(10)7-11-14-18-5-6-21(14)8-12(19-11)13(16)20-17/h1-6,8H,7,17H2,(H2,16,20)
InChIKeyAKJOCYSCPWHXLD-UHFFFAOYSA-N
MW284.30 g/mol
LogP1.04
Rot. Bonds3

About N'-amino-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine-6-carboximidamide

N'-amino-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine-6-carboximidamide (PubChem CID 154003447) has the molecular formula C14H13FN6 and a molecular weight of 284.30 g/mol. Its IUPAC name is N'-amino-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine-6-carboximidamide.

Molecular Properties

Compound NameN'-amino-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine-6-carboximidamide
PubChem CID154003447
Molecular FormulaC14H13FN6
Molecular Weight284.30 g/mol
Exact Mass284.12
IUPAC NameN'-amino-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine-6-carboximidamide
SMILESNN=C(N)c1cn2ccnc2c(Cc2ccccc2F)n1
InChIInChI=1S/C14H13FN6/c15-10-4-2-1-3-9(10)7-11-14-18-5-6-21(14)8-12(19-11)13(16)20-17/h1-6,8H,7,17H2,(H2,16,20)
InChIKeyAKJOCYSCPWHXLD-UHFFFAOYSA-N
XLogP1.04
TPSA94.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-amino-6-[(2-fluorophenyl)methyl]-5-(propan-2-ylamino)pyrazine-2-carboximidamide
CID 134313526
[1-[[amino-[8-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]methylidene]amino]-2,2,2-trifluoroethylidene]azanium
CID 163958437
ethyl acetate;8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine
CID 139467151
butan-2-one;8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine
CID 139467739
8-[(2-fluorophenyl)methoxy]imidazo[1,2-a]pyrazin-6-amine
CID 80876110
8-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyrimidine-6-carboxylic acid
CID 141366500
(5S)-4-amino-5-(4-fluoro-3-hydroxyphenyl)-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 145404344
N-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 110704366
8-bromo-2-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyridine
CID 117137365
8-fluoroimidazo[1,2-a]pyridine-2-carbohydrazide
CID 82529126
N'-amino-1-[(2-fluorophenyl)methyl]-5-methoxypyrazole-3-carboximidamide
CID 154338549
sodium 2-[8-[(2,5-difluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoropyrimidin-4-olate
CID 166087121

Frequently Asked Questions

What is the IUPAC name of N'-amino-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine-6-carboximidamide?
The IUPAC name of N'-amino-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine-6-carboximidamide (CID 154003447) is N'-amino-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine-6-carboximidamide.
What is the SMILES notation for N'-amino-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine-6-carboximidamide?
The canonical SMILES for N'-amino-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine-6-carboximidamide is NN=C(N)c1cn2ccnc2c(Cc2ccccc2F)n1.
What is the InChIKey of N'-amino-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine-6-carboximidamide?
The InChIKey is AKJOCYSCPWHXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN6/c15-10-4-2-1-3-9(10)7-11-14-18-5-6-21(14)8-12(19-11)13(16)20-17/h1-6,8H,7,17H2,(H2,16,20).
What are the key properties of N'-amino-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine-6-carboximidamide?
N'-amino-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine-6-carboximidamide has a molecular weight of 284.30 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine-6-carboximidamide is sourced from PubChem (CID 154003447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).