1-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(6-methoxyimidazo[1,2-a]pyridin-2-yl)pentan-1-one;6-methoxyimidazo[1,2-a]pyridine-2-carboxylic acid;molecular iodine

C43H51I2N7O7 — CID 163634103

About 1-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(6-methoxyimidazo[1,2-a]pyridin-2-yl)pentan-1-one;6-methoxyimidazo[1,2-a]pyridine-2-carboxylic acid;molecular iodine

1-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(6-methoxyimidazo[1,2-a]pyridin-2-yl)pentan-1-one;6-methoxyimidazo[1,2-a]pyridine-2-carboxylic acid;molecular iodine (PubChem CID 163634103) has the molecular formula C43H51I2N7O7 and a molecular weight of 1031.73 g/mol. Its IUPAC name is 1-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(6-methoxyimidazo[1,2-a]pyridin-2-yl)pentan-1-one;6-methoxyimidazo[1,2-a]pyridine-2-carboxylic acid;molecular iodine.

Molecular Properties

• Compound Name: 1-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(6-methoxyimidazo[1,2-a]pyridin-2-yl)pentan-1-one;6-methoxyimidazo[1,2-a]pyridine-2-carboxylic acid;molecular iodine
• PubChem CID: 163634103
• Molecular Formula: C43H51I2N7O7
• Molecular Weight: 1031.73 g/mol
• Exact Mass: 1031.19
• IUPAC Name: 1-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(6-methoxyimidazo[1,2-a]pyridin-2-yl)pentan-1-one;6-methoxyimidazo[1,2-a]pyridine-2-carboxylic acid;molecular iodine
• SMILES: COc1ccc2nc(C(=O)CCC(O)CN3CCc4ccccc4C3)cn2c1.COc1ccc2nc(C(=O)O)cn2c1.II.NCC(O)CN1CCc2ccccc2C1
• InChI: InChI=1S/C22H25N3O3.C12H18N2O.C9H8N2O3.I2/c1-28-19-7-9-22-23-20(15-25(22)14-19)21(27)8-6-18(26)13-24-11-10-16-4-2-3-5-17(16)12-24;13-7-12(15)9-14-6-5-10-3-1-2-4-11(10)8-14;1-14-6-2-3-8-10-7(9(12)13)5-11(8)4-6;1-2/h2-5,7,9,14-15,18,26H,6,8,10-13H2,1H3;1-4,12,15H,5-9,13H2;2-5H,1H3,(H,12,13)
• InChIKey: HYPWCVUAUXUPJO-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 180.39 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1031.73
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(6-methoxyimidazo[1,2-a]pyridin-2-yl)pentan-1-one;6-methoxyimidazo[1,2-a]pyridine-2-carboxylic acid;molecular iodine?

The IUPAC name of 1-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(6-methoxyimidazo[1,2-a]pyridin-2-yl)pentan-1-one;6-methoxyimidazo[1,2-a]pyridine-2-carboxylic acid;molecular iodine (CID 163634103) is 1-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(6-methoxyimidazo[1,2-a]pyridin-2-yl)pentan-1-one;6-methoxyimidazo[1,2-a]pyridine-2-carboxylic acid;molecular iodine.

What is the SMILES notation for 1-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(6-methoxyimidazo[1,2-a]pyridin-2-yl)pentan-1-one;6-methoxyimidazo[1,2-a]pyridine-2-carboxylic acid;molecular iodine?

The canonical SMILES for 1-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(6-methoxyimidazo[1,2-a]pyridin-2-yl)pentan-1-one;6-methoxyimidazo[1,2-a]pyridine-2-carboxylic acid;molecular iodine is COc1ccc2nc(C(=O)CCC(O)CN3CCc4ccccc4C3)cn2c1.COc1ccc2nc(C(=O)O)cn2c1.II.NCC(O)CN1CCc2ccccc2C1.

What is the InChIKey of 1-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(6-methoxyimidazo[1,2-a]pyridin-2-yl)pentan-1-one;6-methoxyimidazo[1,2-a]pyridine-2-carboxylic acid;molecular iodine?

The InChIKey is HYPWCVUAUXUPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3.C12H18N2O.C9H8N2O3.I2/c1-28-19-7-9-22-23-20(15-25(22)14-19)21(27)8-6-18(26)13-24-11-10-16-4-2-3-5-17(16)12-24;13-7-12(15)9-14-6-5-10-3-1-2-4-11(10)8-14;1-14-6-2-3-8-10-7(9(12)13)5-11(8)4-6;1-2/h2-5,7,9,14-15,18,26H,6,8,10-13H2,1H3;1-4,12,15H,5-9,13H2;2-5H,1H3,(H,12,13);.

What are the key properties of 1-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(6-methoxyimidazo[1,2-a]pyridin-2-yl)pentan-1-one;6-methoxyimidazo[1,2-a]pyridine-2-carboxylic acid;molecular iodine?

1-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(6-methoxyimidazo[1,2-a]pyridin-2-yl)pentan-1-one;6-methoxyimidazo[1,2-a]pyridine-2-carboxylic acid;molecular iodine has a molecular weight of 1031.73 g/mol, XLogP of 5.90, 12 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(6-methoxyimidazo[1,2-a]pyridin-2-yl)pentan-1-one;6-methoxyimidazo[1,2-a]pyridine-2-carboxylic acid;molecular iodine is sourced from PubChem (CID 163634103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).