8-(2-chloro-4-fluorophenyl)-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine

C24H24ClFN6 — CID 58398057

IUPAC8-(2-chloro-4-fluorophenyl)-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(N2CCC(Cc3nc4c(-c5ccc(F)cc5Cl)cccn4n3)CC2)nc(C)n1
InChIInChI=1S/C24H24ClFN6/c1-15-12-23(28-16(2)27-15)31-10-7-17(8-11-31)13-22-29-24-20(4-3-9-32(24)30-22)19-6-5-18(26)14-21(19)25/h3-6,9,12,14,17H,7-8,10-11,13H2,1-2H3
InChIKeyGYWYYJDFLDLQRT-UHFFFAOYSA-N
MW450.95 g/mol
LogP5.05
Rot. Bonds4

About 8-(2-chloro-4-fluorophenyl)-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine

8-(2-chloro-4-fluorophenyl)-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 58398057) has the molecular formula C24H24ClFN6 and a molecular weight of 450.95 g/mol. Its IUPAC name is 8-(2-chloro-4-fluorophenyl)-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-(2-chloro-4-fluorophenyl)-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID58398057
Molecular FormulaC24H24ClFN6
Molecular Weight450.95 g/mol
Exact Mass450.17
IUPAC Name8-(2-chloro-4-fluorophenyl)-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(N2CCC(Cc3nc4c(-c5ccc(F)cc5Cl)cccn4n3)CC2)nc(C)n1
InChIInChI=1S/C24H24ClFN6/c1-15-12-23(28-16(2)27-15)31-10-7-17(8-11-31)13-22-29-24-20(4-3-9-32(24)30-22)19-6-5-18(26)14-21(19)25/h3-6,9,12,14,17H,7-8,10-11,13H2,1-2H3
InChIKeyGYWYYJDFLDLQRT-UHFFFAOYSA-N
XLogP5.05
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.95
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2-chloro-4-fluorophenyl)-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-(2-chloro-4-fluorophenyl)-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 58398057) is 8-(2-chloro-4-fluorophenyl)-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-(2-chloro-4-fluorophenyl)-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-(2-chloro-4-fluorophenyl)-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc(N2CCC(Cc3nc4c(-c5ccc(F)cc5Cl)cccn4n3)CC2)nc(C)n1.
What is the InChIKey of 8-(2-chloro-4-fluorophenyl)-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is GYWYYJDFLDLQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN6/c1-15-12-23(28-16(2)27-15)31-10-7-17(8-11-31)13-22-29-24-20(4-3-9-32(24)30-22)19-6-5-18(26)14-21(19)25/h3-6,9,12,14,17H,7-8,10-11,13H2,1-2H3.
What are the key properties of 8-(2-chloro-4-fluorophenyl)-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
8-(2-chloro-4-fluorophenyl)-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 450.95 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chloro-4-fluorophenyl)-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 58398057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).