1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropan-1-one

C19H19N3OS — CID 42988656

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropan-1-one

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropan-1-one (PubChem CID 42988656) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropan-1-one.

Molecular Properties

• Compound Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropan-1-one
• PubChem CID: 42988656
• Molecular Formula: C19H19N3OS
• Molecular Weight: 337.45 g/mol
• Exact Mass: 337.12
• IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropan-1-one
• SMILES: CC(Sc1ncc2ccccn12)C(=O)N1CCc2ccccc2C1
• InChI: InChI=1S/C19H19N3OS/c1-14(24-19-20-12-17-8-4-5-10-22(17)19)18(23)21-11-9-15-6-2-3-7-16(15)13-21/h2-8,10,12,14H,9,11,13H2,1H3
• InChIKey: PAXCFQBELXGBHP-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 37.61 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.45
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropan-1-one?

The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropan-1-one (CID 42988656) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropan-1-one.

What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropan-1-one?

The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropan-1-one is CC(Sc1ncc2ccccn12)C(=O)N1CCc2ccccc2C1.

What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropan-1-one?

The InChIKey is PAXCFQBELXGBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-14(24-19-20-12-17-8-4-5-10-22(17)19)18(23)21-11-9-15-6-2-3-7-16(15)13-21/h2-8,10,12,14H,9,11,13H2,1H3.

What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropan-1-one?

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropan-1-one has a molecular weight of 337.45 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropan-1-one is sourced from PubChem (CID 42988656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).