1-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid;iodide

C44H64IN10O5- — CID 163749776

About 1-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid;iodide

1-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid;iodide (PubChem CID 163749776) has the molecular formula C44H64IN10O5- and a molecular weight of 939.96 g/mol. Its IUPAC name is 1-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid;iodide.

Molecular Properties

• Compound Name: 1-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid;iodide
• PubChem CID: 163749776
• Molecular Formula: C44H64IN10O5-
• Molecular Weight: 939.96 g/mol
• Exact Mass: 939.41
• IUPAC Name: 1-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid;iodide
• SMILES: CC(C)N1CCn2cc(C(=O)NCC(O)CN3CCc4ccccc4C3)nc2C1.CC(C)N1CCn2cc(C(=O)O)nc2C1.NCC(O)CN1CCc2ccccc2C1.[I-]
• InChI: InChI=1S/C22H31N5O2.C12H18N2O.C10H15N3O2.HI/c1-16(2)26-9-10-27-14-20(24-21(27)15-26)22(29)23-11-19(28)13-25-8-7-17-5-3-4-6-18(17)12-25;13-7-12(15)9-14-6-5-10-3-1-2-4-11(10)8-14;1-7(2)12-3-4-13-5-8(10(14)15)11-9(13)6-12;/h3-6,14,16,19,28H,7-13,15H2,1-2H3,(H,23,29);1-4,12,15H,5-9,13H2;5,7H,3-4,6H2,1-2H3,(H,14,15);1H/p-1
• InChIKey: KQGGHCZZSPYZTE-UHFFFAOYSA-M
• XLogP: -0.57
• TPSA: 181.48 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	939.96
LogP ≤ 5	-0.57
H-Bond Donors ≤ 5	5
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;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid;iodide?

The IUPAC name of 1-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid;iodide (CID 163749776) is 1-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid;iodide.

What is the SMILES notation for 1-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid;iodide?

The canonical SMILES for 1-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid;iodide is CC(C)N1CCn2cc(C(=O)NCC(O)CN3CCc4ccccc4C3)nc2C1.CC(C)N1CCn2cc(C(=O)O)nc2C1.NCC(O)CN1CCc2ccccc2C1.[I-].

What is the InChIKey of 1-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid;iodide?

The InChIKey is KQGGHCZZSPYZTE-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H31N5O2.C12H18N2O.C10H15N3O2.HI/c1-16(2)26-9-10-27-14-20(24-21(27)15-26)22(29)23-11-19(28)13-25-8-7-17-5-3-4-6-18(17)12-25;13-7-12(15)9-14-6-5-10-3-1-2-4-11(10)8-14;1-7(2)12-3-4-13-5-8(10(14)15)11-9(13)6-12;/h3-6,14,16,19,28H,7-13,15H2,1-2H3,(H,23,29);1-4,12,15H,5-9,13H2;5,7H,3-4,6H2,1-2H3,(H,14,15);1H/p-1.

What are the key properties of 1-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid;iodide?

1-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid;iodide has a molecular weight of 939.96 g/mol, XLogP of -0.57, 11 rotatable bonds, 5 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;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid;iodide is sourced from PubChem (CID 163749776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).