1-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-hydroxyethyl]-7-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxamide;7-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;methane;hydroiodide

C53H59F2IN8O5 — CID 163872003

About 1-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-hydroxyethyl]-7-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxamide;7-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;methane;hydroiodide

1-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-hydroxyethyl]-7-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxamide;7-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;methane;hydroiodide (PubChem CID 163872003) has the molecular formula C53H59F2IN8O5 and a molecular weight of 1053.01 g/mol. Its IUPAC name is 1-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-hydroxyethyl]-7-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxamide;7-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;methane;hydroiodide.

Molecular Properties

• Compound Name: 1-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-hydroxyethyl]-7-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxamide;7-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;methane;hydroiodide
• PubChem CID: 163872003
• Molecular Formula: C53H59F2IN8O5
• Molecular Weight: 1053.01 g/mol
• Exact Mass: 1052.36
• IUPAC Name: 1-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-hydroxyethyl]-7-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxamide;7-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;methane;hydroiodide
• SMILES: C.C.I.NCC(O)CN1CCc2ccccc2C1.O=C(NC(O)CN1CCc2ccccc2C1)c1cn2ccc(-c3ccc(F)cc3)cc2n1.O=C(O)c1cn2ccc(-c3ccc(F)cc3)cc2n1
• InChI: InChI=1S/C25H23FN4O2.C14H9FN2O2.C12H18N2O.2CH4.HI/c26-21-7-5-18(6-8-21)19-10-12-30-15-22(27-23(30)13-19)25(32)28-24(31)16-29-11-9-17-3-1-2-4-20(17)14-29;15-11-3-1-9(2-4-11)10-5-6-17-8-12(14(18)19)16-13(17)7-10;13-7-12(15)9-14-6-5-10-3-1-2-4-11(10)8-14;;;/h1-8,10,12-13,15,24,31H,9,11,14,16H2,(H,28,32);1-8H,(H,18,19);1-4,12,15H,5-9,13H2;2*1H4;1H
• InChIKey: DMIPVFBBGCBSBR-UHFFFAOYSA-N
• XLogP: 8.34
• TPSA: 173.96 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1053.01
LogP ≤ 5	8.34
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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;N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-hydroxyethyl]-7-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxamide;7-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;methane;hydroiodide?

The IUPAC name of 1-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-hydroxyethyl]-7-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxamide;7-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;methane;hydroiodide (CID 163872003) is 1-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-hydroxyethyl]-7-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxamide;7-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;methane;hydroiodide.

What is the SMILES notation for 1-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-hydroxyethyl]-7-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxamide;7-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;methane;hydroiodide?

The canonical SMILES for 1-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-hydroxyethyl]-7-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxamide;7-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;methane;hydroiodide is C.C.I.NCC(O)CN1CCc2ccccc2C1.O=C(NC(O)CN1CCc2ccccc2C1)c1cn2ccc(-c3ccc(F)cc3)cc2n1.O=C(O)c1cn2ccc(-c3ccc(F)cc3)cc2n1.

What is the InChIKey of 1-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-hydroxyethyl]-7-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxamide;7-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;methane;hydroiodide?

The InChIKey is DMIPVFBBGCBSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2.C14H9FN2O2.C12H18N2O.2CH4.HI/c26-21-7-5-18(6-8-21)19-10-12-30-15-22(27-23(30)13-19)25(32)28-24(31)16-29-11-9-17-3-1-2-4-20(17)14-29;15-11-3-1-9(2-4-11)10-5-6-17-8-12(14(18)19)16-13(17)7-10;13-7-12(15)9-14-6-5-10-3-1-2-4-11(10)8-14;;;/h1-8,10,12-13,15,24,31H,9,11,14,16H2,(H,28,32);1-8H,(H,18,19);1-4,12,15H,5-9,13H2;2*1H4;1H.

What are the key properties of 1-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-hydroxyethyl]-7-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxamide;7-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;methane;hydroiodide?

1-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-hydroxyethyl]-7-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxamide;7-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;methane;hydroiodide has a molecular weight of 1053.01 g/mol, XLogP of 8.34, 10 rotatable bonds, 5 hydrogen bond donors, and 11 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;N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-hydroxyethyl]-7-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxamide;7-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;methane;hydroiodide is sourced from PubChem (CID 163872003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).