[6-(5-amino-2-fluorophenyl)-3-cyano-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamic acid

C15H13FN6O2 — CID 67981031

IUPAC[6-(5-amino-2-fluorophenyl)-3-cyano-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamic acid
SMILESCC1(c2cc(N)ccc2F)Cn2c(C#N)cnc2C(NC(=O)O)=N1
InChIInChI=1S/C15H13FN6O2/c1-15(10-4-8(18)2-3-11(10)16)7-22-9(5-17)6-19-13(22)12(21-15)20-14(23)24/h2-4,6H,7,18H2,1H3,(H,20,21)(H,23,24)
InChIKeyWLZFEIUDKVRHDS-UHFFFAOYSA-N
MW328.31 g/mol
LogP1.42
Rot. Bonds1

About [6-(5-amino-2-fluorophenyl)-3-cyano-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamic acid

[6-(5-amino-2-fluorophenyl)-3-cyano-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamic acid (PubChem CID 67981031) has the molecular formula C15H13FN6O2 and a molecular weight of 328.31 g/mol. Its IUPAC name is [6-(5-amino-2-fluorophenyl)-3-cyano-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamic acid.

Molecular Properties

Compound Name[6-(5-amino-2-fluorophenyl)-3-cyano-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamic acid
PubChem CID67981031
Molecular FormulaC15H13FN6O2
Molecular Weight328.31 g/mol
Exact Mass328.11
IUPAC Name[6-(5-amino-2-fluorophenyl)-3-cyano-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamic acid
SMILESCC1(c2cc(N)ccc2F)Cn2c(C#N)cnc2C(NC(=O)O)=N1
InChIInChI=1S/C15H13FN6O2/c1-15(10-4-8(18)2-3-11(10)16)7-22-9(5-17)6-19-13(22)12(21-15)20-14(23)24/h2-4,6H,7,18H2,1H3,(H,20,21)(H,23,24)
InChIKeyWLZFEIUDKVRHDS-UHFFFAOYSA-N
XLogP1.42
TPSA129.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.31
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-(5-amino-2-fluorophenyl)-3-cyano-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamic acid?
The IUPAC name of [6-(5-amino-2-fluorophenyl)-3-cyano-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamic acid (CID 67981031) is [6-(5-amino-2-fluorophenyl)-3-cyano-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamic acid.
What is the SMILES notation for [6-(5-amino-2-fluorophenyl)-3-cyano-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamic acid?
The canonical SMILES for [6-(5-amino-2-fluorophenyl)-3-cyano-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamic acid is CC1(c2cc(N)ccc2F)Cn2c(C#N)cnc2C(NC(=O)O)=N1.
What is the InChIKey of [6-(5-amino-2-fluorophenyl)-3-cyano-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamic acid?
The InChIKey is WLZFEIUDKVRHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN6O2/c1-15(10-4-8(18)2-3-11(10)16)7-22-9(5-17)6-19-13(22)12(21-15)20-14(23)24/h2-4,6H,7,18H2,1H3,(H,20,21)(H,23,24).
What are the key properties of [6-(5-amino-2-fluorophenyl)-3-cyano-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamic acid?
[6-(5-amino-2-fluorophenyl)-3-cyano-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamic acid has a molecular weight of 328.31 g/mol, XLogP of 1.42, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-amino-2-fluorophenyl)-3-cyano-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamic acid is sourced from PubChem (CID 67981031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).