3-(4-fluorophenyl)sulfanyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide

C22H22FN3OS — CID 112832934

About 3-(4-fluorophenyl)sulfanyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide

3-(4-fluorophenyl)sulfanyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide (PubChem CID 112832934) has the molecular formula C22H22FN3OS and a molecular weight of 395.50 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide.

Molecular Properties

• Compound Name: 3-(4-fluorophenyl)sulfanyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide
• PubChem CID: 112832934
• Molecular Formula: C22H22FN3OS
• Molecular Weight: 395.50 g/mol
• Exact Mass: 395.15
• IUPAC Name: 3-(4-fluorophenyl)sulfanyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide
• SMILES: O=C(CCSc1ccc(F)cc1)Nc1ccc(-c2ncc3n2CCCC3)cc1
• InChI: InChI=1S/C22H22FN3OS/c23-17-6-10-20(11-7-17)28-14-12-21(27)25-18-8-4-16(5-9-18)22-24-15-19-3-1-2-13-26(19)22/h4-11,15H,1-3,12-14H2,(H,25,27)
• InChIKey: NVIMQYNUWQAABM-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	395.50
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide?

The IUPAC name of 3-(4-fluorophenyl)sulfanyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide (CID 112832934) is 3-(4-fluorophenyl)sulfanyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide.

What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide?

The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide is O=C(CCSc1ccc(F)cc1)Nc1ccc(-c2ncc3n2CCCC3)cc1.

What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide?

The InChIKey is NVIMQYNUWQAABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3OS/c23-17-6-10-20(11-7-17)28-14-12-21(27)25-18-8-4-16(5-9-18)22-24-15-19-3-1-2-13-26(19)22/h4-11,15H,1-3,12-14H2,(H,25,27).

What are the key properties of 3-(4-fluorophenyl)sulfanyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide?

3-(4-fluorophenyl)sulfanyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide has a molecular weight of 395.50 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-fluorophenyl)sulfanyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide is sourced from PubChem (CID 112832934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).