[1-[[amino-[8-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]methylidene]amino]-2,2,2-trifluoroethylidene]azanium

C16H13F4N6+ — CID 163958437

IUPAC[1-[[amino-[8-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]methylidene]amino]-2,2,2-trifluoroethylidene]azanium
SMILESN/C(=N\C(=[NH2+])C(F)(F)F)c1cn2ccnc2c(Cc2cccc(F)c2)n1
InChIInChI=1S/C16H12F4N6/c17-10-3-1-2-9(6-10)7-11-14-23-4-5-26(14)8-12(24-11)13(21)25-15(22)16(18,19)20/h1-6,8H,7H2,(H3,21,22,25)/p+1
InChIKeySFKJEIIZHJJRBJ-UHFFFAOYSA-O
MW365.31 g/mol
LogP0.88
Rot. Bonds3

About [1-[[amino-[8-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]methylidene]amino]-2,2,2-trifluoroethylidene]azanium

[1-[[amino-[8-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]methylidene]amino]-2,2,2-trifluoroethylidene]azanium (PubChem CID 163958437) has the molecular formula C16H13F4N6+ and a molecular weight of 365.31 g/mol. Its IUPAC name is [1-[[amino-[8-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]methylidene]amino]-2,2,2-trifluoroethylidene]azanium.

Molecular Properties

Compound Name[1-[[amino-[8-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]methylidene]amino]-2,2,2-trifluoroethylidene]azanium
PubChem CID163958437
Molecular FormulaC16H13F4N6+
Molecular Weight365.31 g/mol
Exact Mass365.11
IUPAC Name[1-[[amino-[8-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]methylidene]amino]-2,2,2-trifluoroethylidene]azanium
SMILESN/C(=N\C(=[NH2+])C(F)(F)F)c1cn2ccnc2c(Cc2cccc(F)c2)n1
InChIInChI=1S/C16H12F4N6/c17-10-3-1-2-9(6-10)7-11-14-23-4-5-26(14)8-12(24-11)13(21)25-15(22)16(18,19)20/h1-6,8H,7H2,(H3,21,22,25)/p+1
InChIKeySFKJEIIZHJJRBJ-UHFFFAOYSA-O
XLogP0.88
TPSA94.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(1-amino-2,2,2-trifluoroethylidene)-8-benzylimidazo[1,2-a]pyrazine-6-carboximidamide
CID 134313538
N'-amino-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine-6-carboximidamide
CID 154003447
4-amino-5-(4-fluorophenyl)-2-[8-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 118566965
(5S)-4-amino-5-(4-chloro-3-fluoro-5-hydroxyphenyl)-2-[8-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 145404337
1-[(3-fluorophenyl)methyl]-N'-hydroxyimidazole-2-carboximidamide
CID 136954290
5-fluoro-2-[8-[(3-methylphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-1H-pyrimidin-6-one
CID 171526354
4-amino-5-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-2-[8-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 145404333
N-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide
CID 53014545
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 56909109
8-N-(3-fluorophenyl)-6-N,8-N-dimethylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80817764
8-[(3-chlorophenyl)methoxy]-N-methylimidazo[1,2-a]pyrazin-6-amine
CID 80876547
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 [1-[[amino-[8-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]methylidene]amino]-2,2,2-trifluoroethylidene]azanium?
The IUPAC name of [1-[[amino-[8-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]methylidene]amino]-2,2,2-trifluoroethylidene]azanium (CID 163958437) is [1-[[amino-[8-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]methylidene]amino]-2,2,2-trifluoroethylidene]azanium.
What is the SMILES notation for [1-[[amino-[8-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]methylidene]amino]-2,2,2-trifluoroethylidene]azanium?
The canonical SMILES for [1-[[amino-[8-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]methylidene]amino]-2,2,2-trifluoroethylidene]azanium is N/C(=N\C(=[NH2+])C(F)(F)F)c1cn2ccnc2c(Cc2cccc(F)c2)n1.
What is the InChIKey of [1-[[amino-[8-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]methylidene]amino]-2,2,2-trifluoroethylidene]azanium?
The InChIKey is SFKJEIIZHJJRBJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H12F4N6/c17-10-3-1-2-9(6-10)7-11-14-23-4-5-26(14)8-12(24-11)13(21)25-15(22)16(18,19)20/h1-6,8H,7H2,(H3,21,22,25)/p+1.
What are the key properties of [1-[[amino-[8-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]methylidene]amino]-2,2,2-trifluoroethylidene]azanium?
[1-[[amino-[8-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]methylidene]amino]-2,2,2-trifluoroethylidene]azanium has a molecular weight of 365.31 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[amino-[8-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]methylidene]amino]-2,2,2-trifluoroethylidene]azanium is sourced from PubChem (CID 163958437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).