1-[(4-fluorophenyl)methyl]-5-(1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyrazin-2-one

C15H11FN6O — CID 126471277

IUPAC1-[(4-fluorophenyl)methyl]-5-(1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2nc(-c3cn[nH]c3)cnc2n1Cc1ccc(F)cc1
InChIInChI=1S/C15H11FN6O/c16-11-3-1-9(2-4-11)8-22-14-13(21-15(22)23)20-12(7-17-14)10-5-18-19-6-10/h1-7H,8H2,(H,18,19)(H,20,21,23)
InChIKeyUVVDOMUBVHOYLO-UHFFFAOYSA-N
MW310.29 g/mol
LogP1.70
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-5-(1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyrazin-2-one

1-[(4-fluorophenyl)methyl]-5-(1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 126471277) has the molecular formula C15H11FN6O and a molecular weight of 310.29 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5-(1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-5-(1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyrazin-2-one
PubChem CID126471277
Molecular FormulaC15H11FN6O
Molecular Weight310.29 g/mol
Exact Mass310.10
IUPAC Name1-[(4-fluorophenyl)methyl]-5-(1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2nc(-c3cn[nH]c3)cnc2n1Cc1ccc(F)cc1
InChIInChI=1S/C15H11FN6O/c16-11-3-1-9(2-4-11)8-22-14-13(21-15(22)23)20-12(7-17-14)10-5-18-19-6-10/h1-7H,8H2,(H,18,19)(H,20,21,23)
InChIKeyUVVDOMUBVHOYLO-UHFFFAOYSA-N
XLogP1.70
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-5-(1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-5-(1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyrazin-2-one (CID 126471277) is 1-[(4-fluorophenyl)methyl]-5-(1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-5-(1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5-(1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyrazin-2-one is O=c1[nH]c2nc(-c3cn[nH]c3)cnc2n1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-5-(1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is UVVDOMUBVHOYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN6O/c16-11-3-1-9(2-4-11)8-22-14-13(21-15(22)23)20-12(7-17-14)10-5-18-19-6-10/h1-7H,8H2,(H,18,19)(H,20,21,23).
What are the key properties of 1-[(4-fluorophenyl)methyl]-5-(1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyrazin-2-one?
1-[(4-fluorophenyl)methyl]-5-(1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 310.29 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-5-(1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 126471277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).