2-(3-fluoro-4-pyridinyl)-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C11H8FIN4O — CID 163235450

IUPAC2-(3-fluoro-4-pyridinyl)-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NCCn2nc(-c3ccncc3F)c(I)c21
InChIInChI=1S/C11H8FIN4O/c12-7-5-14-2-1-6(7)9-8(13)10-11(18)15-3-4-17(10)16-9/h1-2,5H,3-4H2,(H,15,18)
InChIKeyWSTKLIBPZOXQKZ-UHFFFAOYSA-N
MW358.11 g/mol
LogP1.43
Rot. Bonds1

About 2-(3-fluoro-4-pyridinyl)-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

2-(3-fluoro-4-pyridinyl)-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 163235450) has the molecular formula C11H8FIN4O and a molecular weight of 358.11 g/mol. Its IUPAC name is 2-(3-fluoro-4-pyridinyl)-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(3-fluoro-4-pyridinyl)-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID163235450
Molecular FormulaC11H8FIN4O
Molecular Weight358.11 g/mol
Exact Mass357.97
IUPAC Name2-(3-fluoro-4-pyridinyl)-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NCCn2nc(-c3ccncc3F)c(I)c21
InChIInChI=1S/C11H8FIN4O/c12-7-5-14-2-1-6(7)9-8(13)10-11(18)15-3-4-17(10)16-9/h1-2,5H,3-4H2,(H,15,18)
InChIKeyWSTKLIBPZOXQKZ-UHFFFAOYSA-N
XLogP1.43
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.11
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-2-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 126455423
3,4,7,8,9,10-hexahydro-2H-pyrazino[1,2-b]indazol-1-one
CID 44558568
3-chloro-2-(2-methylthieno[3,2-b]pyridin-7-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163235372
3-(3-chloro-2-methoxyanilino)-2-[3-(2-methoxyethoxy)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163235425
5-(3-fluoro-4-pyridinyl)-3H-1,3,4-thiadiazol-2-one
CID 106521619
3-fluoro-4-(4-fluorophenyl)pyridine
CID 46312739
2-bromo-3-chloro-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163235555
3-[4-[[4-(difluoromethoxy)phenyl]methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;fermium
CID 162596298
3-[5-(2-ethenyl-5-methylhexa-2,4-dienoxy)pyrazin-2-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 123487819
3-(3-fluoro-4-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 64955329
2-(2-pyridin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 59723215
3-(3-chloro-2-methoxyanilino)-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163235466

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-pyridinyl)-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(3-fluoro-4-pyridinyl)-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 163235450) is 2-(3-fluoro-4-pyridinyl)-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(3-fluoro-4-pyridinyl)-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(3-fluoro-4-pyridinyl)-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is O=C1NCCn2nc(-c3ccncc3F)c(I)c21.
What is the InChIKey of 2-(3-fluoro-4-pyridinyl)-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is WSTKLIBPZOXQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FIN4O/c12-7-5-14-2-1-6(7)9-8(13)10-11(18)15-3-4-17(10)16-9/h1-2,5H,3-4H2,(H,15,18).
What are the key properties of 2-(3-fluoro-4-pyridinyl)-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
2-(3-fluoro-4-pyridinyl)-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 358.11 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-pyridinyl)-3-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 163235450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).