methyl 6-(3-amino-6-chloro-2-fluorophenyl)imidazo[1,5-a]pyrazine-1-carboxylate

C14H10ClFN4O2 — CID 164594263

IUPACmethyl 6-(3-amino-6-chloro-2-fluorophenyl)imidazo[1,5-a]pyrazine-1-carboxylate
SMILESCOC(=O)c1ncn2cc(-c3c(Cl)ccc(N)c3F)ncc12
InChIInChI=1S/C14H10ClFN4O2/c1-22-14(21)13-10-4-18-9(5-20(10)6-19-13)11-7(15)2-3-8(17)12(11)16/h2-6H,17H2,1H3
InChIKeyYCYUPMGTFINUIO-UHFFFAOYSA-N
MW320.71 g/mol
LogP2.56
Rot. Bonds2

About methyl 6-(3-amino-6-chloro-2-fluorophenyl)imidazo[1,5-a]pyrazine-1-carboxylate

methyl 6-(3-amino-6-chloro-2-fluorophenyl)imidazo[1,5-a]pyrazine-1-carboxylate (PubChem CID 164594263) has the molecular formula C14H10ClFN4O2 and a molecular weight of 320.71 g/mol. Its IUPAC name is methyl 6-(3-amino-6-chloro-2-fluorophenyl)imidazo[1,5-a]pyrazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3-amino-6-chloro-2-fluorophenyl)imidazo[1,5-a]pyrazine-1-carboxylate
PubChem CID164594263
Molecular FormulaC14H10ClFN4O2
Molecular Weight320.71 g/mol
Exact Mass320.05
IUPAC Namemethyl 6-(3-amino-6-chloro-2-fluorophenyl)imidazo[1,5-a]pyrazine-1-carboxylate
SMILESCOC(=O)c1ncn2cc(-c3c(Cl)ccc(N)c3F)ncc12
InChIInChI=1S/C14H10ClFN4O2/c1-22-14(21)13-10-4-18-9(5-20(10)6-19-13)11-7(15)2-3-8(17)12(11)16/h2-6H,17H2,1H3
InChIKeyYCYUPMGTFINUIO-UHFFFAOYSA-N
XLogP2.56
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.71
LogP ≤ 52.56
H-Bond Donors ≤ 51
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 methyl 6-(3-amino-6-chloro-2-fluorophenyl)imidazo[1,5-a]pyrazine-1-carboxylate?
The IUPAC name of methyl 6-(3-amino-6-chloro-2-fluorophenyl)imidazo[1,5-a]pyrazine-1-carboxylate (CID 164594263) is methyl 6-(3-amino-6-chloro-2-fluorophenyl)imidazo[1,5-a]pyrazine-1-carboxylate.
What is the SMILES notation for methyl 6-(3-amino-6-chloro-2-fluorophenyl)imidazo[1,5-a]pyrazine-1-carboxylate?
The canonical SMILES for methyl 6-(3-amino-6-chloro-2-fluorophenyl)imidazo[1,5-a]pyrazine-1-carboxylate is COC(=O)c1ncn2cc(-c3c(Cl)ccc(N)c3F)ncc12.
What is the InChIKey of methyl 6-(3-amino-6-chloro-2-fluorophenyl)imidazo[1,5-a]pyrazine-1-carboxylate?
The InChIKey is YCYUPMGTFINUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4O2/c1-22-14(21)13-10-4-18-9(5-20(10)6-19-13)11-7(15)2-3-8(17)12(11)16/h2-6H,17H2,1H3.
What are the key properties of methyl 6-(3-amino-6-chloro-2-fluorophenyl)imidazo[1,5-a]pyrazine-1-carboxylate?
methyl 6-(3-amino-6-chloro-2-fluorophenyl)imidazo[1,5-a]pyrazine-1-carboxylate has a molecular weight of 320.71 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3-amino-6-chloro-2-fluorophenyl)imidazo[1,5-a]pyrazine-1-carboxylate is sourced from PubChem (CID 164594263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).