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-(1-methylpiperidin-4-yl)piperidin-4-yl]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

C109H124F3N31O5 — CID 167648410

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-(1-methylpiperidin-4-yl)piperidin-4-yl]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-(1-methylpiperidin-4-yl)piperidin-4-yl]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 167648410) has the molecular formula C109H124F3N31O5 and a molecular weight of 2005.40 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-(1-methylpiperidin-4-yl)piperidin-4-yl]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-(1-methylpiperidin-4-yl)piperidin-4-yl]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: 167648410
• Molecular Formula: C109H124F3N31O5
• Molecular Weight: 2005.40 g/mol
• Exact Mass: 2004.04
• 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-(1-methylpiperidin-4-yl)piperidin-4-yl]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.Cc1cc(-c2cnc(N)c(Oc3cnn(C4CCN(C5CCN(C)CC5)CC4)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/C29H40N8O.C28H32N8O2.C26H26F3N7O.C26H26N8O/c1-20-14-21(15-22-18-35(3)11-8-26(20)22)27-17-31-28(30)29(33-27)38-25-16-32-37(19-25)24-6-12-36(13-7-24)23-4-9-34(2)10-5-23;1-17-10-20(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/h14-17,19,23-24H,4-13,18H2,1-3H3,(H2,30,31);6-7,10-14,16,18H,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: QFGCTVVXRIFWBY-UHFFFAOYSA-N
• XLogP: 17.06
• TPSA: 398.18 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 21
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2005.40
LogP ≤ 5	17.06
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	34

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-(1-methylpiperidin-4-yl)piperidin-4-yl]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-(1-methylpiperidin-4-yl)piperidin-4-yl]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 167648410) 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-(1-methylpiperidin-4-yl)piperidin-4-yl]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-(1-methylpiperidin-4-yl)piperidin-4-yl]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-(1-methylpiperidin-4-yl)piperidin-4-yl]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.Cc1cc(-c2cnc(N)c(Oc3cnn(C4CCN(C5CCN(C)CC5)CC4)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-(1-methylpiperidin-4-yl)piperidin-4-yl]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 QFGCTVVXRIFWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N8O.C28H32N8O2.C26H26F3N7O.C26H26N8O/c1-20-14-21(15-22-18-35(3)11-8-26(20)22)27-17-31-28(30)29(33-27)38-25-16-32-37(19-25)24-6-12-36(13-7-24)23-4-9-34(2)10-5-23;1-17-10-20(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/h14-17,19,23-24H,4-13,18H2,1-3H3,(H2,30,31);6-7,10-14,16,18H,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-(1-methylpiperidin-4-yl)piperidin-4-yl]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-(1-methylpiperidin-4-yl)piperidin-4-yl]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 2005.40 g/mol, XLogP of 17.06, 21 rotatable bonds, 4 hydrogen bond donors, and 34 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-(1-methylpiperidin-4-yl)piperidin-4-yl]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 167648410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).