N-cyclopentyl-3-[1-[(3-fluorophenyl)methylsulfanyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide

C24H24FN5O2S — CID 50837148

About N-cyclopentyl-3-[1-[(3-fluorophenyl)methylsulfanyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide

N-cyclopentyl-3-[1-[(3-fluorophenyl)methylsulfanyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide (PubChem CID 50837148) has the molecular formula C24H24FN5O2S and a molecular weight of 465.55 g/mol. Its IUPAC name is N-cyclopentyl-3-[1-[(3-fluorophenyl)methylsulfanyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide.

Molecular Properties

• Compound Name: N-cyclopentyl-3-[1-[(3-fluorophenyl)methylsulfanyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide
• PubChem CID: 50837148
• Molecular Formula: C24H24FN5O2S
• Molecular Weight: 465.55 g/mol
• Exact Mass: 465.16
• IUPAC Name: N-cyclopentyl-3-[1-[(3-fluorophenyl)methylsulfanyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide
• SMILES: O=C(CCn1c(=O)c2ccccc2n2c(SCc3cccc(F)c3)nnc12)NC1CCCC1
• InChI: InChI=1S/C24H24FN5O2S/c25-17-7-5-6-16(14-17)15-33-24-28-27-23-29(13-12-21(31)26-18-8-1-2-9-18)22(32)19-10-3-4-11-20(19)30(23)24/h3-7,10-11,14,18H,1-2,8-9,12-13,15H2,(H,26,31)
• InChIKey: MIEOOONRSAMMDE-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 81.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.55
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[1-[(3-fluorophenyl)methylsulfanyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide?

The IUPAC name of N-cyclopentyl-3-[1-[(3-fluorophenyl)methylsulfanyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide (CID 50837148) is N-cyclopentyl-3-[1-[(3-fluorophenyl)methylsulfanyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide.

What is the SMILES notation for N-cyclopentyl-3-[1-[(3-fluorophenyl)methylsulfanyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide?

The canonical SMILES for N-cyclopentyl-3-[1-[(3-fluorophenyl)methylsulfanyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide is O=C(CCn1c(=O)c2ccccc2n2c(SCc3cccc(F)c3)nnc12)NC1CCCC1.

What is the InChIKey of N-cyclopentyl-3-[1-[(3-fluorophenyl)methylsulfanyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide?

The InChIKey is MIEOOONRSAMMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2S/c25-17-7-5-6-16(14-17)15-33-24-28-27-23-29(13-12-21(31)26-18-8-1-2-9-18)22(32)19-10-3-4-11-20(19)30(23)24/h3-7,10-11,14,18H,1-2,8-9,12-13,15H2,(H,26,31).

What are the key properties of N-cyclopentyl-3-[1-[(3-fluorophenyl)methylsulfanyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide?

N-cyclopentyl-3-[1-[(3-fluorophenyl)methylsulfanyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide has a molecular weight of 465.55 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-3-[1-[(3-fluorophenyl)methylsulfanyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide is sourced from PubChem (CID 50837148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).