6-(5-amino-2-fluorophenyl)-2-iodo-6-methyl-5H-imidazo[1,2-a]pyrazin-8-amine

C13H13FIN5 — CID 67984343

IUPAC6-(5-amino-2-fluorophenyl)-2-iodo-6-methyl-5H-imidazo[1,2-a]pyrazin-8-amine
SMILESCC1(c2cc(N)ccc2F)Cn2cc(I)nc2C(N)=N1
InChIInChI=1S/C13H13FIN5/c1-13(8-4-7(16)2-3-9(8)14)6-20-5-10(15)18-12(20)11(17)19-13/h2-5H,6,16H2,1H3,(H2,17,19)
InChIKeyZPYNALZKXCPYRE-UHFFFAOYSA-N
MW385.18 g/mol
LogP1.84
Rot. Bonds1

About 6-(5-amino-2-fluorophenyl)-2-iodo-6-methyl-5H-imidazo[1,2-a]pyrazin-8-amine

6-(5-amino-2-fluorophenyl)-2-iodo-6-methyl-5H-imidazo[1,2-a]pyrazin-8-amine (PubChem CID 67984343) has the molecular formula C13H13FIN5 and a molecular weight of 385.18 g/mol. Its IUPAC name is 6-(5-amino-2-fluorophenyl)-2-iodo-6-methyl-5H-imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-(5-amino-2-fluorophenyl)-2-iodo-6-methyl-5H-imidazo[1,2-a]pyrazin-8-amine
PubChem CID67984343
Molecular FormulaC13H13FIN5
Molecular Weight385.18 g/mol
Exact Mass385.02
IUPAC Name6-(5-amino-2-fluorophenyl)-2-iodo-6-methyl-5H-imidazo[1,2-a]pyrazin-8-amine
SMILESCC1(c2cc(N)ccc2F)Cn2cc(I)nc2C(N)=N1
InChIInChI=1S/C13H13FIN5/c1-13(8-4-7(16)2-3-9(8)14)6-20-5-10(15)18-12(20)11(17)19-13/h2-5H,6,16H2,1H3,(H2,17,19)
InChIKeyZPYNALZKXCPYRE-UHFFFAOYSA-N
XLogP1.84
TPSA82.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.18
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[3-(8-amino-2-chloro-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl)-4-fluorophenyl]carbamic acid
CID 67984598
6-(5-bromo-2-fluorophenyl)-1,6-dimethyl-5H-imidazo[1,5-a]pyrazin-8-amine
CID 121293741
N-[3-[(6R)-8-amino-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 123998272
(2R,5R)-5-(5-amino-2-fluorophenyl)-2,5-dimethyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-amine
CID 126634136
6-(2-fluorophenyl)-6-methyl-7H-pyrazolo[1,5-a]pyrazin-4-amine
CID 174695068
(6S)-6-(5-amino-2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
CID 141279779
(5R)-5-(5-amino-2-fluorophenyl)-2-ethyl-5-methyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-amine
CID 89095033
(4R)-4-(5-amino-2-fluorophenyl)-5,5-difluoro-4,6,6-trimethyl-1,3-oxazin-2-amine;hydrochloride
CID 89419071
[6-(5-amino-2-fluorophenyl)-3-cyano-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamic acid
CID 67981031
tert-butyl N-[(6R)-6-(5-amino-2-fluorophenyl)-2,3-dichloro-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamate
CID 86699182
8-amino-6-(5-amino-2-methylphenyl)-6-methyl-5H-imidazo[1,2-a]pyrazine-3-carbonitrile
CID 163640888
2-[3-(8-amino-2,3-dichloro-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl)-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone
CID 159270180

Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-2-fluorophenyl)-2-iodo-6-methyl-5H-imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-(5-amino-2-fluorophenyl)-2-iodo-6-methyl-5H-imidazo[1,2-a]pyrazin-8-amine (CID 67984343) is 6-(5-amino-2-fluorophenyl)-2-iodo-6-methyl-5H-imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-(5-amino-2-fluorophenyl)-2-iodo-6-methyl-5H-imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-(5-amino-2-fluorophenyl)-2-iodo-6-methyl-5H-imidazo[1,2-a]pyrazin-8-amine is CC1(c2cc(N)ccc2F)Cn2cc(I)nc2C(N)=N1.
What is the InChIKey of 6-(5-amino-2-fluorophenyl)-2-iodo-6-methyl-5H-imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is ZPYNALZKXCPYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FIN5/c1-13(8-4-7(16)2-3-9(8)14)6-20-5-10(15)18-12(20)11(17)19-13/h2-5H,6,16H2,1H3,(H2,17,19).
What are the key properties of 6-(5-amino-2-fluorophenyl)-2-iodo-6-methyl-5H-imidazo[1,2-a]pyrazin-8-amine?
6-(5-amino-2-fluorophenyl)-2-iodo-6-methyl-5H-imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 385.18 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-2-fluorophenyl)-2-iodo-6-methyl-5H-imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 67984343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).