N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyrazin-3-amine

C17H13FN4O — CID 16674805

IUPACN-[(4-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyrazin-3-amine
SMILESFc1ccc(CNc2c(-c3ccco3)nc3cnccn23)cc1
InChIInChI=1S/C17H13FN4O/c18-13-5-3-12(4-6-13)10-20-17-16(14-2-1-9-23-14)21-15-11-19-7-8-22(15)17/h1-9,11,20H,10H2
InChIKeyNPDGGKROWWPUBR-UHFFFAOYSA-N
MW308.32 g/mol
LogP3.74
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyrazin-3-amine

N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyrazin-3-amine (PubChem CID 16674805) has the molecular formula C17H13FN4O and a molecular weight of 308.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyrazin-3-amine
PubChem CID16674805
Molecular FormulaC17H13FN4O
Molecular Weight308.32 g/mol
Exact Mass308.11
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyrazin-3-amine
SMILESFc1ccc(CNc2c(-c3ccco3)nc3cnccn23)cc1
InChIInChI=1S/C17H13FN4O/c18-13-5-3-12(4-6-13)10-20-17-16(14-2-1-9-23-14)21-15-11-19-7-8-22(15)17/h1-9,11,20H,10H2
InChIKeyNPDGGKROWWPUBR-UHFFFAOYSA-N
XLogP3.74
TPSA55.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyrazin-3-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyrazin-3-amine (CID 16674805) is N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyrazin-3-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyrazin-3-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyrazin-3-amine is Fc1ccc(CNc2c(-c3ccco3)nc3cnccn23)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyrazin-3-amine?
The InChIKey is NPDGGKROWWPUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O/c18-13-5-3-12(4-6-13)10-20-17-16(14-2-1-9-23-14)21-15-11-19-7-8-22(15)17/h1-9,11,20H,10H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyrazin-3-amine?
N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyrazin-3-amine has a molecular weight of 308.32 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 16674805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).