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

C24H24ClFN6 — CID 58397918

IUPAC8-(2-chloro-4-fluorophenyl)-6-methyl-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(-c2ccc(F)cc2Cl)c2nc(CC3CCN(c4cc(C)ncn4)CC3)nn2c1
InChIInChI=1S/C24H24ClFN6/c1-15-9-20(19-4-3-18(26)12-21(19)25)24-29-22(30-32(24)13-15)11-17-5-7-31(8-6-17)23-10-16(2)27-14-28-23/h3-4,9-10,12-14,17H,5-8,11H2,1-2H3
InChIKeyKHQYEYUTNCSKMK-UHFFFAOYSA-N
MW450.95 g/mol
LogP5.05
Rot. Bonds4

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

8-(2-chloro-4-fluorophenyl)-6-methyl-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 58397918) has the molecular formula C24H24ClFN6 and a molecular weight of 450.95 g/mol. Its IUPAC name is 8-(2-chloro-4-fluorophenyl)-6-methyl-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-(2-chloro-4-fluorophenyl)-6-methyl-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID58397918
Molecular FormulaC24H24ClFN6
Molecular Weight450.95 g/mol
Exact Mass450.17
IUPAC Name8-(2-chloro-4-fluorophenyl)-6-methyl-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(-c2ccc(F)cc2Cl)c2nc(CC3CCN(c4cc(C)ncn4)CC3)nn2c1
InChIInChI=1S/C24H24ClFN6/c1-15-9-20(19-4-3-18(26)12-21(19)25)24-29-22(30-32(24)13-15)11-17-5-7-31(8-6-17)23-10-16(2)27-14-28-23/h3-4,9-10,12-14,17H,5-8,11H2,1-2H3
InChIKeyKHQYEYUTNCSKMK-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)-6-methyl-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-(2-chloro-4-fluorophenyl)-6-methyl-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 58397918) is 8-(2-chloro-4-fluorophenyl)-6-methyl-2-[[1-(6-methylpyrimidin-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)-6-methyl-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-(2-chloro-4-fluorophenyl)-6-methyl-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc(-c2ccc(F)cc2Cl)c2nc(CC3CCN(c4cc(C)ncn4)CC3)nn2c1.
What is the InChIKey of 8-(2-chloro-4-fluorophenyl)-6-methyl-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is KHQYEYUTNCSKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN6/c1-15-9-20(19-4-3-18(26)12-21(19)25)24-29-22(30-32(24)13-15)11-17-5-7-31(8-6-17)23-10-16(2)27-14-28-23/h3-4,9-10,12-14,17H,5-8,11H2,1-2H3.
What are the key properties of 8-(2-chloro-4-fluorophenyl)-6-methyl-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
8-(2-chloro-4-fluorophenyl)-6-methyl-2-[[1-(6-methylpyrimidin-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)-6-methyl-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 58397918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).