[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanone

C24H20ClFN4O2 — CID 46367492

IUPAC[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanone
SMILESO=C(c1cccn2c(-c3ccc(F)cc3)nnc12)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H20ClFN4O2/c25-18-7-5-17(6-8-18)24(32)11-14-29(15-12-24)23(31)20-2-1-13-30-21(27-28-22(20)30)16-3-9-19(26)10-4-16/h1-10,13,32H,11-12,14-15H2
InChIKeyVHJVCKCQCMCOLI-UHFFFAOYSA-N
MW450.90 g/mol
LogP4.31
Rot. Bonds3

About [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanone

[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanone (PubChem CID 46367492) has the molecular formula C24H20ClFN4O2 and a molecular weight of 450.90 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanone
PubChem CID46367492
Molecular FormulaC24H20ClFN4O2
Molecular Weight450.90 g/mol
Exact Mass450.13
IUPAC Name[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanone
SMILESO=C(c1cccn2c(-c3ccc(F)cc3)nnc12)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H20ClFN4O2/c25-18-7-5-17(6-8-18)24(32)11-14-29(15-12-24)23(31)20-2-1-13-30-21(27-28-22(20)30)16-3-9-19(26)10-4-16/h1-10,13,32H,11-12,14-15H2
InChIKeyVHJVCKCQCMCOLI-UHFFFAOYSA-N
XLogP4.31
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.90
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanone?
The IUPAC name of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanone (CID 46367492) is [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanone.
What is the SMILES notation for [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanone?
The canonical SMILES for [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanone is O=C(c1cccn2c(-c3ccc(F)cc3)nnc12)N1CCC(O)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanone?
The InChIKey is VHJVCKCQCMCOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN4O2/c25-18-7-5-17(6-8-18)24(32)11-14-29(15-12-24)23(31)20-2-1-13-30-21(27-28-22(20)30)16-3-9-19(26)10-4-16/h1-10,13,32H,11-12,14-15H2.
What are the key properties of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanone?
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanone has a molecular weight of 450.90 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanone is sourced from PubChem (CID 46367492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).