2-(5-pyridin-4-yl-2-pyridinyl)-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C23H18F3N5 — CID 56969815

IUPAC2-(5-pyridin-4-yl-2-pyridinyl)-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESFC(F)(F)c1ccccc1C1CCCn2nc(-c3ccc(-c4ccncc4)cn3)nc21
InChIInChI=1S/C23H18F3N5/c24-23(25,26)19-6-2-1-4-17(19)18-5-3-13-31-22(18)29-21(30-31)20-8-7-16(14-28-20)15-9-11-27-12-10-15/h1-2,4,6-12,14,18H,3,5,13H2
InChIKeyOCWCTWZRCRRJNQ-UHFFFAOYSA-N
MW421.43 g/mol
LogP5.35
Rot. Bonds3

About 2-(5-pyridin-4-yl-2-pyridinyl)-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

2-(5-pyridin-4-yl-2-pyridinyl)-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 56969815) has the molecular formula C23H18F3N5 and a molecular weight of 421.43 g/mol. Its IUPAC name is 2-(5-pyridin-4-yl-2-pyridinyl)-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(5-pyridin-4-yl-2-pyridinyl)-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID56969815
Molecular FormulaC23H18F3N5
Molecular Weight421.43 g/mol
Exact Mass421.15
IUPAC Name2-(5-pyridin-4-yl-2-pyridinyl)-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESFC(F)(F)c1ccccc1C1CCCn2nc(-c3ccc(-c4ccncc4)cn3)nc21
InChIInChI=1S/C23H18F3N5/c24-23(25,26)19-6-2-1-4-17(19)18-5-3-13-31-22(18)29-21(30-31)20-8-7-16(14-28-20)15-9-11-27-12-10-15/h1-2,4,6-12,14,18H,3,5,13H2
InChIKeyOCWCTWZRCRRJNQ-UHFFFAOYSA-N
XLogP5.35
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.43
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Decoglurant
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3-(6-fluoropyridin-3-yl)-2-(4-(4-methyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl)pyridine
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N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
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CID 54576073
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CID 5329460
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CID 5329462
4-[3-(Cyclohex-1-en-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
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CID 24743826

Frequently Asked Questions

What is the IUPAC name of 2-(5-pyridin-4-yl-2-pyridinyl)-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-(5-pyridin-4-yl-2-pyridinyl)-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 56969815) is 2-(5-pyridin-4-yl-2-pyridinyl)-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(5-pyridin-4-yl-2-pyridinyl)-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-(5-pyridin-4-yl-2-pyridinyl)-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is FC(F)(F)c1ccccc1C1CCCn2nc(-c3ccc(-c4ccncc4)cn3)nc21.
What is the InChIKey of 2-(5-pyridin-4-yl-2-pyridinyl)-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is OCWCTWZRCRRJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N5/c24-23(25,26)19-6-2-1-4-17(19)18-5-3-13-31-22(18)29-21(30-31)20-8-7-16(14-28-20)15-9-11-27-12-10-15/h1-2,4,6-12,14,18H,3,5,13H2.
What are the key properties of 2-(5-pyridin-4-yl-2-pyridinyl)-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
2-(5-pyridin-4-yl-2-pyridinyl)-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 421.43 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pyridin-4-yl-2-pyridinyl)-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 56969815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).