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

C23H22ClFN6 — CID 58397904

IUPAC8-(2-chloro-4-fluorophenyl)-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(N2CCC(Cc3nc4c(-c5ccc(F)cc5Cl)cccn4n3)CC2)ncn1
InChIInChI=1S/C23H22ClFN6/c1-15-11-22(27-14-26-15)30-9-6-16(7-10-30)12-21-28-23-19(3-2-8-31(23)29-21)18-5-4-17(25)13-20(18)24/h2-5,8,11,13-14,16H,6-7,9-10,12H2,1H3
InChIKeyVXVMHLIZRMSFSF-UHFFFAOYSA-N
MW436.92 g/mol
LogP4.75
Rot. Bonds4

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

8-(2-chloro-4-fluorophenyl)-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 58397904) has the molecular formula C23H22ClFN6 and a molecular weight of 436.92 g/mol. Its IUPAC name is 8-(2-chloro-4-fluorophenyl)-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)-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID58397904
Molecular FormulaC23H22ClFN6
Molecular Weight436.92 g/mol
Exact Mass436.16
IUPAC Name8-(2-chloro-4-fluorophenyl)-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(N2CCC(Cc3nc4c(-c5ccc(F)cc5Cl)cccn4n3)CC2)ncn1
InChIInChI=1S/C23H22ClFN6/c1-15-11-22(27-14-26-15)30-9-6-16(7-10-30)12-21-28-23-19(3-2-8-31(23)29-21)18-5-4-17(25)13-20(18)24/h2-5,8,11,13-14,16H,6-7,9-10,12H2,1H3
InChIKeyVXVMHLIZRMSFSF-UHFFFAOYSA-N
XLogP4.75
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.92
LogP ≤ 54.75
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-(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)-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 58397904) is 8-(2-chloro-4-fluorophenyl)-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)-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)-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc(N2CCC(Cc3nc4c(-c5ccc(F)cc5Cl)cccn4n3)CC2)ncn1.
What is the InChIKey of 8-(2-chloro-4-fluorophenyl)-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is VXVMHLIZRMSFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN6/c1-15-11-22(27-14-26-15)30-9-6-16(7-10-30)12-21-28-23-19(3-2-8-31(23)29-21)18-5-4-17(25)13-20(18)24/h2-5,8,11,13-14,16H,6-7,9-10,12H2,1H3.
What are the key properties of 8-(2-chloro-4-fluorophenyl)-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
8-(2-chloro-4-fluorophenyl)-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 436.92 g/mol, XLogP of 4.75, 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-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 58397904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).