6-fluoro-2-[2-(trifluoromethyl)-4-pyridinyl]-4H-pyrazolo[1,5-a]quinazolin-5-one

C16H8F4N4O — CID 137014551

IUPAC6-fluoro-2-[2-(trifluoromethyl)-4-pyridinyl]-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESO=c1[nH]c2cc(-c3ccnc(C(F)(F)F)c3)nn2c2cccc(F)c12
InChIInChI=1S/C16H8F4N4O/c17-9-2-1-3-11-14(9)15(25)22-13-7-10(23-24(11)13)8-4-5-21-12(6-8)16(18,19)20/h1-7H,(H,22,25)
InChIKeyRMZPPCOSNFXTHQ-UHFFFAOYSA-N
MW348.26 g/mol
LogP3.40
Rot. Bonds1

About 6-fluoro-2-[2-(trifluoromethyl)-4-pyridinyl]-4H-pyrazolo[1,5-a]quinazolin-5-one

6-fluoro-2-[2-(trifluoromethyl)-4-pyridinyl]-4H-pyrazolo[1,5-a]quinazolin-5-one (PubChem CID 137014551) has the molecular formula C16H8F4N4O and a molecular weight of 348.26 g/mol. Its IUPAC name is 6-fluoro-2-[2-(trifluoromethyl)-4-pyridinyl]-4H-pyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name6-fluoro-2-[2-(trifluoromethyl)-4-pyridinyl]-4H-pyrazolo[1,5-a]quinazolin-5-one
PubChem CID137014551
Molecular FormulaC16H8F4N4O
Molecular Weight348.26 g/mol
Exact Mass348.06
IUPAC Name6-fluoro-2-[2-(trifluoromethyl)-4-pyridinyl]-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESO=c1[nH]c2cc(-c3ccnc(C(F)(F)F)c3)nn2c2cccc(F)c12
InChIInChI=1S/C16H8F4N4O/c17-9-2-1-3-11-14(9)15(25)22-13-7-10(23-24(11)13)8-4-5-21-12(6-8)16(18,19)20/h1-7H,(H,22,25)
InChIKeyRMZPPCOSNFXTHQ-UHFFFAOYSA-N
XLogP3.40
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[2-(trifluoromethyl)-4-pyridinyl]-4H-pyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 6-fluoro-2-[2-(trifluoromethyl)-4-pyridinyl]-4H-pyrazolo[1,5-a]quinazolin-5-one (CID 137014551) is 6-fluoro-2-[2-(trifluoromethyl)-4-pyridinyl]-4H-pyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 6-fluoro-2-[2-(trifluoromethyl)-4-pyridinyl]-4H-pyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 6-fluoro-2-[2-(trifluoromethyl)-4-pyridinyl]-4H-pyrazolo[1,5-a]quinazolin-5-one is O=c1[nH]c2cc(-c3ccnc(C(F)(F)F)c3)nn2c2cccc(F)c12.
What is the InChIKey of 6-fluoro-2-[2-(trifluoromethyl)-4-pyridinyl]-4H-pyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is RMZPPCOSNFXTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F4N4O/c17-9-2-1-3-11-14(9)15(25)22-13-7-10(23-24(11)13)8-4-5-21-12(6-8)16(18,19)20/h1-7H,(H,22,25).
What are the key properties of 6-fluoro-2-[2-(trifluoromethyl)-4-pyridinyl]-4H-pyrazolo[1,5-a]quinazolin-5-one?
6-fluoro-2-[2-(trifluoromethyl)-4-pyridinyl]-4H-pyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 348.26 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[2-(trifluoromethyl)-4-pyridinyl]-4H-pyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 137014551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).