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

C19H14F4N4O — CID 155531760

IUPAC[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCn2nc(-c3ccc(F)cn3)cc2C1
InChIInChI=1S/C19H14F4N4O/c20-14-4-5-16(24-10-14)17-9-15-11-26(6-7-27(15)25-17)18(28)12-2-1-3-13(8-12)19(21,22)23/h1-5,8-10H,6-7,11H2
InChIKeyBJCAPTHZPNMRMM-UHFFFAOYSA-N
MW390.34 g/mol
LogP3.76
Rot. Bonds2

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

[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 155531760) has the molecular formula C19H14F4N4O and a molecular weight of 390.34 g/mol. Its IUPAC name is [2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID155531760
Molecular FormulaC19H14F4N4O
Molecular Weight390.34 g/mol
Exact Mass390.11
IUPAC Name[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCn2nc(-c3ccc(F)cn3)cc2C1
InChIInChI=1S/C19H14F4N4O/c20-14-4-5-16(24-10-14)17-9-15-11-26(6-7-27(15)25-17)18(28)12-2-1-3-13(8-12)19(21,22)23/h1-5,8-10H,6-7,11H2
InChIKeyBJCAPTHZPNMRMM-UHFFFAOYSA-N
XLogP3.76
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.34
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 155531760) is [2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)N1CCn2nc(-c3ccc(F)cn3)cc2C1.
What is the InChIKey of [2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is BJCAPTHZPNMRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N4O/c20-14-4-5-16(24-10-14)17-9-15-11-26(6-7-27(15)25-17)18(28)12-2-1-3-13(8-12)19(21,22)23/h1-5,8-10H,6-7,11H2.
What are the key properties of [2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[3-(trifluoromethyl)phenyl]methanone?
[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 390.34 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 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-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 155531760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).