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

C19H17FN4O2 — CID 155549742

IUPAC[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCn3nc(-c4ccc(F)cn4)cc3C2)c1
InChIInChI=1S/C19H17FN4O2/c1-26-16-4-2-3-13(9-16)19(25)23-7-8-24-15(12-23)10-18(22-24)17-6-5-14(20)11-21-17/h2-6,9-11H,7-8,12H2,1H3
InChIKeyGLJYIZOUAYKZNJ-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.75
Rot. Bonds3

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

[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-methoxyphenyl)methanone (PubChem CID 155549742) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is [2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-methoxyphenyl)methanone
PubChem CID155549742
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCn3nc(-c4ccc(F)cn4)cc3C2)c1
InChIInChI=1S/C19H17FN4O2/c1-26-16-4-2-3-13(9-16)19(25)23-7-8-24-15(12-23)10-18(22-24)17-6-5-14(20)11-21-17/h2-6,9-11H,7-8,12H2,1H3
InChIKeyGLJYIZOUAYKZNJ-UHFFFAOYSA-N
XLogP2.75
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-methoxyphenyl)methanone (CID 155549742) is [2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCn3nc(-c4ccc(F)cn4)cc3C2)c1.
What is the InChIKey of [2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-methoxyphenyl)methanone?
The InChIKey is GLJYIZOUAYKZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-26-16-4-2-3-13(9-16)19(25)23-7-8-24-15(12-23)10-18(22-24)17-6-5-14(20)11-21-17/h2-6,9-11H,7-8,12H2,1H3.
What are the key properties of [2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-methoxyphenyl)methanone?
[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-methoxyphenyl)methanone has a molecular weight of 352.37 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 155549742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).