4-[2-pyridin-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoline

C24H14F3N5 — CID 3300126

IUPAC4-[2-pyridin-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoline
SMILESFC(F)(F)c1ccc(-c2nc(-c3ccccn3)ncc2-c2ccnc3ccccc23)cn1
InChIInChI=1S/C24H14F3N5/c25-24(26,27)21-9-8-15(13-30-21)22-18(14-31-23(32-22)20-7-3-4-11-28-20)16-10-12-29-19-6-2-1-5-17(16)19/h1-14H
InChIKeyFNIQNUYSDZOIRQ-UHFFFAOYSA-N
MW429.41 g/mol
LogP5.83
Rot. Bonds3

About 4-[2-pyridin-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoline

4-[2-pyridin-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoline (PubChem CID 3300126) has the molecular formula C24H14F3N5 and a molecular weight of 429.41 g/mol. Its IUPAC name is 4-[2-pyridin-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoline.

Molecular Properties

Compound Name4-[2-pyridin-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoline
PubChem CID3300126
Molecular FormulaC24H14F3N5
Molecular Weight429.41 g/mol
Exact Mass429.12
IUPAC Name4-[2-pyridin-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoline
SMILESFC(F)(F)c1ccc(-c2nc(-c3ccccn3)ncc2-c2ccnc3ccccc23)cn1
InChIInChI=1S/C24H14F3N5/c25-24(26,27)21-9-8-15(13-30-21)22-18(14-31-23(32-22)20-7-3-4-11-28-20)16-10-12-29-19-6-2-1-5-17(16)19/h1-14H
InChIKeyFNIQNUYSDZOIRQ-UHFFFAOYSA-N
XLogP5.83
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.41
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-pyridin-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoline?
The IUPAC name of 4-[2-pyridin-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoline (CID 3300126) is 4-[2-pyridin-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoline.
What is the SMILES notation for 4-[2-pyridin-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoline?
The canonical SMILES for 4-[2-pyridin-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoline is FC(F)(F)c1ccc(-c2nc(-c3ccccn3)ncc2-c2ccnc3ccccc23)cn1.
What is the InChIKey of 4-[2-pyridin-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoline?
The InChIKey is FNIQNUYSDZOIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F3N5/c25-24(26,27)21-9-8-15(13-30-21)22-18(14-31-23(32-22)20-7-3-4-11-28-20)16-10-12-29-19-6-2-1-5-17(16)19/h1-14H.
What are the key properties of 4-[2-pyridin-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoline?
4-[2-pyridin-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoline has a molecular weight of 429.41 g/mol, XLogP of 5.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-pyridin-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoline is sourced from PubChem (CID 3300126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).