5-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-(4-fluorophenyl)-1,3-thiazole

C23H25FN4S — CID 24915098

About 5-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-(4-fluorophenyl)-1,3-thiazole

5-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-(4-fluorophenyl)-1,3-thiazole (PubChem CID 24915098) has the molecular formula C23H25FN4S and a molecular weight of 408.55 g/mol. Its IUPAC name is 5-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-(4-fluorophenyl)-1,3-thiazole.

Molecular Properties

• Compound Name: 5-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-(4-fluorophenyl)-1,3-thiazole
• PubChem CID: 24915098
• Molecular Formula: C23H25FN4S
• Molecular Weight: 408.55 g/mol
• Exact Mass: 408.18
• IUPAC Name: 5-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-(4-fluorophenyl)-1,3-thiazole
• SMILES: Fc1ccc(-c2ncc(CN3CCc4nc(C5CCCCC5)ncc4C3)s2)cc1
• InChI: InChI=1S/C23H25FN4S/c24-19-8-6-17(7-9-19)23-26-13-20(29-23)15-28-11-10-21-18(14-28)12-25-22(27-21)16-4-2-1-3-5-16/h6-9,12-13,16H,1-5,10-11,14-15H2
• InChIKey: BIXAZRQKRUPIPP-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 41.91 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.55
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-(4-fluorophenyl)-1,3-thiazole?

The IUPAC name of 5-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-(4-fluorophenyl)-1,3-thiazole (CID 24915098) is 5-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-(4-fluorophenyl)-1,3-thiazole.

What is the SMILES notation for 5-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-(4-fluorophenyl)-1,3-thiazole?

The canonical SMILES for 5-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-(4-fluorophenyl)-1,3-thiazole is Fc1ccc(-c2ncc(CN3CCc4nc(C5CCCCC5)ncc4C3)s2)cc1.

What is the InChIKey of 5-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-(4-fluorophenyl)-1,3-thiazole?

The InChIKey is BIXAZRQKRUPIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4S/c24-19-8-6-17(7-9-19)23-26-13-20(29-23)15-28-11-10-21-18(14-28)12-25-22(27-21)16-4-2-1-3-5-16/h6-9,12-13,16H,1-5,10-11,14-15H2.

What are the key properties of 5-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-(4-fluorophenyl)-1,3-thiazole?

5-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-(4-fluorophenyl)-1,3-thiazole has a molecular weight of 408.55 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-(4-fluorophenyl)-1,3-thiazole is sourced from PubChem (CID 24915098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).