2,5-dihydropyrrol-1-yl-[(7S)-1-methyl-5-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone

C20H24N4O — CID 124811729

About 2,5-dihydropyrrol-1-yl-[(7S)-1-methyl-5-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone

2,5-dihydropyrrol-1-yl-[(7S)-1-methyl-5-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone (PubChem CID 124811729) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 2,5-dihydropyrrol-1-yl-[(7S)-1-methyl-5-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone.

Molecular Properties

• Compound Name: 2,5-dihydropyrrol-1-yl-[(7S)-1-methyl-5-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone
• PubChem CID: 124811729
• Molecular Formula: C20H24N4O
• Molecular Weight: 336.44 g/mol
• Exact Mass: 336.20
• IUPAC Name: 2,5-dihydropyrrol-1-yl-[(7S)-1-methyl-5-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone
• SMILES: Cn1cnc2c1[C@@H](C(=O)N1CC=CC1)CN(CCc1ccccc1)C2
• InChI: InChI=1S/C20H24N4O/c1-22-15-21-18-14-23(12-9-16-7-3-2-4-8-16)13-17(19(18)22)20(25)24-10-5-6-11-24/h2-8,15,17H,9-14H2,1H3/t17-/m0/s1
• InChIKey: SIKAFHXLBHTHGR-KRWDZBQOSA-N
• XLogP: 1.96
• TPSA: 41.37 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.44
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydropyrrol-1-yl-[(7S)-1-methyl-5-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone?

The IUPAC name of 2,5-dihydropyrrol-1-yl-[(7S)-1-methyl-5-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone (CID 124811729) is 2,5-dihydropyrrol-1-yl-[(7S)-1-methyl-5-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone.

What is the SMILES notation for 2,5-dihydropyrrol-1-yl-[(7S)-1-methyl-5-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone?

The canonical SMILES for 2,5-dihydropyrrol-1-yl-[(7S)-1-methyl-5-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone is Cn1cnc2c1[C@@H](C(=O)N1CC=CC1)CN(CCc1ccccc1)C2.

What is the InChIKey of 2,5-dihydropyrrol-1-yl-[(7S)-1-methyl-5-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone?

The InChIKey is SIKAFHXLBHTHGR-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N4O/c1-22-15-21-18-14-23(12-9-16-7-3-2-4-8-16)13-17(19(18)22)20(25)24-10-5-6-11-24/h2-8,15,17H,9-14H2,1H3/t17-/m0/s1.

What are the key properties of 2,5-dihydropyrrol-1-yl-[(7S)-1-methyl-5-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone?

2,5-dihydropyrrol-1-yl-[(7S)-1-methyl-5-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone has a molecular weight of 336.44 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dihydropyrrol-1-yl-[(7S)-1-methyl-5-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone is sourced from PubChem (CID 124811729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).