N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide

C20H21N3O3S — CID 97029732

About N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide

N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 97029732) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide
• PubChem CID: 97029732
• Molecular Formula: C20H21N3O3S
• Molecular Weight: 383.47 g/mol
• Exact Mass: 383.13
• IUPAC Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide
• SMILES: CCOc1cc2c(cc1NC(=O)c1nc(SC)n3ccccc13)O[C@@H](C)C2
• InChI: InChI=1S/C20H21N3O3S/c1-4-25-17-10-13-9-12(2)26-16(13)11-14(17)21-19(24)18-15-7-5-6-8-23(15)20(22-18)27-3/h5-8,10-12H,4,9H2,1-3H3,(H,21,24)/t12-/m0/s1
• InChIKey: SVXAVIGZNVEWAP-LBPRGKRZSA-N
• XLogP: 4.03
• TPSA: 64.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.47
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide?

The IUPAC name of N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide (CID 97029732) is N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide.

What is the SMILES notation for N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide?

The canonical SMILES for N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide is CCOc1cc2c(cc1NC(=O)c1nc(SC)n3ccccc13)O[C@@H](C)C2.

What is the InChIKey of N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide?

The InChIKey is SVXAVIGZNVEWAP-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-4-25-17-10-13-9-12(2)26-16(13)11-14(17)21-19(24)18-15-7-5-6-8-23(15)20(22-18)27-3/h5-8,10-12H,4,9H2,1-3H3,(H,21,24)/t12-/m0/s1.

What are the key properties of N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide?

N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 97029732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).