4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-(trifluoromethoxy)quinoline

C19H12F4N4O — CID 162760966

IUPAC4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-(trifluoromethoxy)quinoline
SMILESCn1cc(-c2ccnc3cc(OC(F)(F)F)ccc23)c(-c2ccc(F)cn2)n1
InChIInChI=1S/C19H12F4N4O/c1-27-10-15(18(26-27)16-5-2-11(20)9-25-16)13-6-7-24-17-8-12(3-4-14(13)17)28-19(21,22)23/h2-10H,1H3
InChIKeyLFHLOAAZOWSODL-UHFFFAOYSA-N
MW388.32 g/mol
LogP4.74
Rot. Bonds3

About 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-(trifluoromethoxy)quinoline

4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-(trifluoromethoxy)quinoline (PubChem CID 162760966) has the molecular formula C19H12F4N4O and a molecular weight of 388.32 g/mol. Its IUPAC name is 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-(trifluoromethoxy)quinoline.

Molecular Properties

Compound Name4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-(trifluoromethoxy)quinoline
PubChem CID162760966
Molecular FormulaC19H12F4N4O
Molecular Weight388.32 g/mol
Exact Mass388.09
IUPAC Name4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-(trifluoromethoxy)quinoline
SMILESCn1cc(-c2ccnc3cc(OC(F)(F)F)ccc23)c(-c2ccc(F)cn2)n1
InChIInChI=1S/C19H12F4N4O/c1-27-10-15(18(26-27)16-5-2-11(20)9-25-16)13-6-7-24-17-8-12(3-4-14(13)17)28-19(21,22)23/h2-10H,1H3
InChIKeyLFHLOAAZOWSODL-UHFFFAOYSA-N
XLogP4.74
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.32
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-(trifluoromethoxy)quinoline?
The IUPAC name of 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-(trifluoromethoxy)quinoline (CID 162760966) is 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-(trifluoromethoxy)quinoline.
What is the SMILES notation for 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-(trifluoromethoxy)quinoline?
The canonical SMILES for 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-(trifluoromethoxy)quinoline is Cn1cc(-c2ccnc3cc(OC(F)(F)F)ccc23)c(-c2ccc(F)cn2)n1.
What is the InChIKey of 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-(trifluoromethoxy)quinoline?
The InChIKey is LFHLOAAZOWSODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F4N4O/c1-27-10-15(18(26-27)16-5-2-11(20)9-25-16)13-6-7-24-17-8-12(3-4-14(13)17)28-19(21,22)23/h2-10H,1H3.
What are the key properties of 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-(trifluoromethoxy)quinoline?
4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-(trifluoromethoxy)quinoline has a molecular weight of 388.32 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-(trifluoromethoxy)quinoline is sourced from PubChem (CID 162760966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).