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

C24H20F3N5 — CID 56969814

IUPAC2-[5-(2-methyl-4-pyridinyl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(-c2ccc(-c3nc4n(n3)CCCC4c3ccccc3C(F)(F)F)nc2)ccn1
InChIInChI=1S/C24H20F3N5/c1-15-13-16(10-11-28-15)17-8-9-21(29-14-17)22-30-23-19(6-4-12-32(23)31-22)18-5-2-3-7-20(18)24(25,26)27/h2-3,5,7-11,13-14,19H,4,6,12H2,1H3
InChIKeyHIXDOIWRQQALCO-UHFFFAOYSA-N
MW435.45 g/mol
LogP5.66
Rot. Bonds3

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

2-[5-(2-methyl-4-pyridinyl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 56969814) has the molecular formula C24H20F3N5 and a molecular weight of 435.45 g/mol. Its IUPAC name is 2-[5-(2-methyl-4-pyridinyl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[5-(2-methyl-4-pyridinyl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID56969814
Molecular FormulaC24H20F3N5
Molecular Weight435.45 g/mol
Exact Mass435.17
IUPAC Name2-[5-(2-methyl-4-pyridinyl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(-c2ccc(-c3nc4n(n3)CCCC4c3ccccc3C(F)(F)F)nc2)ccn1
InChIInChI=1S/C24H20F3N5/c1-15-13-16(10-11-28-15)17-8-9-21(29-14-17)22-30-23-19(6-4-12-32(23)31-22)18-5-2-3-7-20(18)24(25,26)27/h2-3,5,7-11,13-14,19H,4,6,12H2,1H3
InChIKeyHIXDOIWRQQALCO-UHFFFAOYSA-N
XLogP5.66
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.45
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[5-(2-methyl-4-pyridinyl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Related Compounds

Forasartan
CID 132706
5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
3-(6-fluoropyridin-3-yl)-2-(4-(4-methyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl)pyridine
CID 91618245
6-[(2r)-2-(3-Fluorophenyl)pyrrolidin-1-Yl]-3-(Pyridin-2-Yl)imidazo[1,2-B]pyridazine
CID 122179546
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
Pyrazolo[1,5-a]pyrimidine, 3-phenyl-6-(4-pyridinyl)-
CID 5329460
2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461
Pyrazolo[1,5-a]pyrimidine, 3-(4-fluorophenyl)-6-(4-pyridinyl)-
CID 5329462
US10399985, Example 30
CID 118278101
US10399985, Example 20
CID 118278203
US10399985, Example 19
CID 118278204
US10399985, Example 17
CID 118278237

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methyl-4-pyridinyl)-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-(2-methyl-4-pyridinyl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 56969814) is 2-[5-(2-methyl-4-pyridinyl)-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-(2-methyl-4-pyridinyl)-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-(2-methyl-4-pyridinyl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc(-c2ccc(-c3nc4n(n3)CCCC4c3ccccc3C(F)(F)F)nc2)ccn1.
What is the InChIKey of 2-[5-(2-methyl-4-pyridinyl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is HIXDOIWRQQALCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5/c1-15-13-16(10-11-28-15)17-8-9-21(29-14-17)22-30-23-19(6-4-12-32(23)31-22)18-5-2-3-7-20(18)24(25,26)27/h2-3,5,7-11,13-14,19H,4,6,12H2,1H3.
What are the key properties of 2-[5-(2-methyl-4-pyridinyl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
2-[5-(2-methyl-4-pyridinyl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 435.45 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methyl-4-pyridinyl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 56969814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).