5-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]ethyl]-N,N-dimethylpyridine-2-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-(6-isocyano-3-pyridinyl)ethyl]pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazol-4-yl]oxypyrazin-2-amine

C80H84F3N23O4 — CID 167581515

About 5-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]ethyl]-N,N-dimethylpyridine-2-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-(6-isocyano-3-pyridinyl)ethyl]pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazol-4-yl]oxypyrazin-2-amine

5-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]ethyl]-N,N-dimethylpyridine-2-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-(6-isocyano-3-pyridinyl)ethyl]pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazol-4-yl]oxypyrazin-2-amine (PubChem CID 167581515) has the molecular formula C80H84F3N23O4 and a molecular weight of 1488.70 g/mol. Its IUPAC name is 5-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]ethyl]-N,N-dimethylpyridine-2-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-(6-isocyano-3-pyridinyl)ethyl]pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazol-4-yl]oxypyrazin-2-amine.

Molecular Properties

• Compound Name: 5-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]ethyl]-N,N-dimethylpyridine-2-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-(6-isocyano-3-pyridinyl)ethyl]pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazol-4-yl]oxypyrazin-2-amine
• PubChem CID: 167581515
• Molecular Formula: C80H84F3N23O4
• Molecular Weight: 1488.70 g/mol
• Exact Mass: 1487.70
• IUPAC Name: 5-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]ethyl]-N,N-dimethylpyridine-2-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-(6-isocyano-3-pyridinyl)ethyl]pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazol-4-yl]oxypyrazin-2-amine
• SMILES: Cc1cc(-c2cnc(N)c(Oc3cnn(C(C)c4ccc(C(=O)N(C)C)nc4)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(Oc3cnn(C(C)c4ccnc(C(F)(F)F)c4)c3)n2)cc2c1CCN(C)C2.[C-]#[N+]c1ccc(C(C)n2cc(Oc3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)cn2)cn1
• InChI: InChI=1S/C28H32N8O2.C26H26F3N7O.C26H26N8O/c1-17-10-20(11-21-15-35(5)9-8-23(17)21)25-14-31-26(29)27(33-25)38-22-13-32-36(16-22)18(2)19-6-7-24(30-12-19)28(37)34(3)4;1-15-8-18(9-19-13-35(3)7-5-21(15)19)22-12-32-24(30)25(34-22)37-20-11-33-36(14-20)16(2)17-4-6-31-23(10-17)26(27,28)29;1-16-9-19(10-20-14-33(4)8-7-22(16)20)23-13-30-25(27)26(32-23)35-21-12-31-34(15-21)17(2)18-5-6-24(28-3)29-11-18/h6-7,10-14,16,18H,8-9,15H2,1-5H3,(H2,29,31);4,6,8-12,14,16H,5,7,13H2,1-3H3,(H2,30,32);5-6,9-13,15,17H,7-8,14H2,1-2,4H3,(H2,27,30)
• InChIKey: HFUFKDHUQMWFFO-UHFFFAOYSA-N
• XLogP: 13.32
• TPSA: 309.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1488.70
LogP ≤ 5	13.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]ethyl]-N,N-dimethylpyridine-2-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-(6-isocyano-3-pyridinyl)ethyl]pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazol-4-yl]oxypyrazin-2-amine?

The IUPAC name of 5-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]ethyl]-N,N-dimethylpyridine-2-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-(6-isocyano-3-pyridinyl)ethyl]pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazol-4-yl]oxypyrazin-2-amine (CID 167581515) is 5-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]ethyl]-N,N-dimethylpyridine-2-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-(6-isocyano-3-pyridinyl)ethyl]pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazol-4-yl]oxypyrazin-2-amine.

What is the SMILES notation for 5-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]ethyl]-N,N-dimethylpyridine-2-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-(6-isocyano-3-pyridinyl)ethyl]pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazol-4-yl]oxypyrazin-2-amine?

The canonical SMILES for 5-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]ethyl]-N,N-dimethylpyridine-2-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-(6-isocyano-3-pyridinyl)ethyl]pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazol-4-yl]oxypyrazin-2-amine is Cc1cc(-c2cnc(N)c(Oc3cnn(C(C)c4ccc(C(=O)N(C)C)nc4)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(Oc3cnn(C(C)c4ccnc(C(F)(F)F)c4)c3)n2)cc2c1CCN(C)C2.[C-]#[N+]c1ccc(C(C)n2cc(Oc3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)cn2)cn1.

What is the InChIKey of 5-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]ethyl]-N,N-dimethylpyridine-2-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-(6-isocyano-3-pyridinyl)ethyl]pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazol-4-yl]oxypyrazin-2-amine?

The InChIKey is HFUFKDHUQMWFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N8O2.C26H26F3N7O.C26H26N8O/c1-17-10-20(11-21-15-35(5)9-8-23(17)21)25-14-31-26(29)27(33-25)38-22-13-32-36(16-22)18(2)19-6-7-24(30-12-19)28(37)34(3)4;1-15-8-18(9-19-13-35(3)7-5-21(15)19)22-12-32-24(30)25(34-22)37-20-11-33-36(14-20)16(2)17-4-6-31-23(10-17)26(27,28)29;1-16-9-19(10-20-14-33(4)8-7-22(16)20)23-13-30-25(27)26(32-23)35-21-12-31-34(15-21)17(2)18-5-6-24(28-3)29-11-18/h6-7,10-14,16,18H,8-9,15H2,1-5H3,(H2,29,31);4,6,8-12,14,16H,5,7,13H2,1-3H3,(H2,30,32);5-6,9-13,15,17H,7-8,14H2,1-2,4H3,(H2,27,30).

What are the key properties of 5-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]ethyl]-N,N-dimethylpyridine-2-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-(6-isocyano-3-pyridinyl)ethyl]pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazol-4-yl]oxypyrazin-2-amine?

5-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]ethyl]-N,N-dimethylpyridine-2-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-(6-isocyano-3-pyridinyl)ethyl]pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazol-4-yl]oxypyrazin-2-amine has a molecular weight of 1488.70 g/mol, XLogP of 13.32, 16 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]ethyl]-N,N-dimethylpyridine-2-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-(6-isocyano-3-pyridinyl)ethyl]pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazol-4-yl]oxypyrazin-2-amine is sourced from PubChem (CID 167581515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).