1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4,4-difluorocyclohexyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(6-ethoxy-3-pyridinyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4-isocyanooxan-4-yl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4-methyloxan-4-yl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide

C131H149F5N38O8 — CID 167600740

About 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4,4-difluorocyclohexyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(6-ethoxy-3-pyridinyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4-isocyanooxan-4-yl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4-methyloxan-4-yl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide

1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4,4-difluorocyclohexyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(6-ethoxy-3-pyridinyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4-isocyanooxan-4-yl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4-methyloxan-4-yl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide (PubChem CID 167600740) has the molecular formula C131H149F5N38O8 and a molecular weight of 2478.88 g/mol. Its IUPAC name is 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4,4-difluorocyclohexyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(6-ethoxy-3-pyridinyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4-isocyanooxan-4-yl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4-methyloxan-4-yl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4,4-difluorocyclohexyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(6-ethoxy-3-pyridinyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4-isocyanooxan-4-yl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4-methyloxan-4-yl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide
• PubChem CID: 167600740
• Molecular Formula: C131H149F5N38O8
• Molecular Weight: 2478.88 g/mol
• Exact Mass: 2477.23
• IUPAC Name: 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4,4-difluorocyclohexyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(6-ethoxy-3-pyridinyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4-isocyanooxan-4-yl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4-methyloxan-4-yl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide
• SMILES: CCOc1ccc(N(C)C(=O)c2cnn(-c3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)c2)cn1.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)c4ccc(C(F)(F)F)nc4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NCC4(C)CCOCC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NCC4CCC(F)(F)CC4)cn3)n2)cc2c1CCN(C)C2.[C-]#[N+]C1(CNC(=O)c2cnn(-c3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)c2)CCOCC1
• InChI: InChI=1S/C27H30N8O2.C26H25F3N8O.C26H31F2N7O.C26H30N8O2.C26H33N7O2/c1-5-37-24-7-6-21(13-29-24)34(4)27(36)20-12-31-35(16-20)26-25(28)30-14-23(32-26)18-10-17(2)22-8-9-33(3)15-19(22)11-18;1-15-8-16(9-17-13-35(2)7-6-20(15)17)21-12-32-23(30)24(34-21)37-14-18(10-33-37)25(38)36(3)19-4-5-22(31-11-19)26(27,28)29;1-16-9-18(10-19-14-34(2)8-5-21(16)19)22-13-30-23(29)24(33-22)35-15-20(12-32-35)25(36)31-11-17-3-6-26(27,28)7-4-17;1-17-10-18(11-19-14-33(3)7-4-21(17)19)22-13-29-23(27)24(32-22)34-15-20(12-31-34)25(35)30-16-26(28-2)5-8-36-9-6-26;1-17-10-18(11-19-14-32(3)7-4-21(17)19)22-13-28-23(27)24(31-22)33-15-20(12-30-33)25(34)29-16-26(2)5-8-35-9-6-26/h6-7,10-14,16H,5,8-9,15H2,1-4H3,(H2,28,30);4-5,8-12,14H,6-7,13H2,1-3H3,(H2,30,32);9-10,12-13,15,17H,3-8,11,14H2,1-2H3,(H2,29,30)(H,31,36);10-13,15H,4-9,14,16H2,1,3H3,(H2,27,29)(H,30,35);10-13,15H,4-9,14,16H2,1-3H3,(H2,27,28)(H,29,34)
• InChIKey: JRVPJYFVVRCULC-UHFFFAOYSA-N
• XLogP: 16.10
• TPSA: 550.05 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 40
• Rotatable Bonds: 25
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2478.88
LogP ≤ 5	16.10
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4,4-difluorocyclohexyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(6-ethoxy-3-pyridinyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4-isocyanooxan-4-yl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4-methyloxan-4-yl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide?

The IUPAC name of 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4,4-difluorocyclohexyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(6-ethoxy-3-pyridinyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4-isocyanooxan-4-yl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4-methyloxan-4-yl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide (CID 167600740) is 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4,4-difluorocyclohexyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(6-ethoxy-3-pyridinyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4-isocyanooxan-4-yl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4-methyloxan-4-yl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide.

What is the SMILES notation for 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4,4-difluorocyclohexyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(6-ethoxy-3-pyridinyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4-isocyanooxan-4-yl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4-methyloxan-4-yl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide?

The canonical SMILES for 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4,4-difluorocyclohexyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(6-ethoxy-3-pyridinyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4-isocyanooxan-4-yl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4-methyloxan-4-yl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide is CCOc1ccc(N(C)C(=O)c2cnn(-c3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)c2)cn1.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)c4ccc(C(F)(F)F)nc4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NCC4(C)CCOCC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NCC4CCC(F)(F)CC4)cn3)n2)cc2c1CCN(C)C2.[C-]#[N+]C1(CNC(=O)c2cnn(-c3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)c2)CCOCC1.

What is the InChIKey of 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4,4-difluorocyclohexyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(6-ethoxy-3-pyridinyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4-isocyanooxan-4-yl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4-methyloxan-4-yl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide?

The InChIKey is JRVPJYFVVRCULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N8O2.C26H25F3N8O.C26H31F2N7O.C26H30N8O2.C26H33N7O2/c1-5-37-24-7-6-21(13-29-24)34(4)27(36)20-12-31-35(16-20)26-25(28)30-14-23(32-26)18-10-17(2)22-8-9-33(3)15-19(22)11-18;1-15-8-16(9-17-13-35(2)7-6-20(15)17)21-12-32-23(30)24(34-21)37-14-18(10-33-37)25(38)36(3)19-4-5-22(31-11-19)26(27,28)29;1-16-9-18(10-19-14-34(2)8-5-21(16)19)22-13-30-23(29)24(33-22)35-15-20(12-32-35)25(36)31-11-17-3-6-26(27,28)7-4-17;1-17-10-18(11-19-14-33(3)7-4-21(17)19)22-13-29-23(27)24(32-22)34-15-20(12-31-34)25(35)30-16-26(28-2)5-8-36-9-6-26;1-17-10-18(11-19-14-32(3)7-4-21(17)19)22-13-28-23(27)24(31-22)33-15-20(12-30-33)25(34)29-16-26(2)5-8-35-9-6-26/h6-7,10-14,16H,5,8-9,15H2,1-4H3,(H2,28,30);4-5,8-12,14H,6-7,13H2,1-3H3,(H2,30,32);9-10,12-13,15,17H,3-8,11,14H2,1-2H3,(H2,29,30)(H,31,36);10-13,15H,4-9,14,16H2,1,3H3,(H2,27,29)(H,30,35);10-13,15H,4-9,14,16H2,1-3H3,(H2,27,28)(H,29,34).

What are the key properties of 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4,4-difluorocyclohexyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(6-ethoxy-3-pyridinyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4-isocyanooxan-4-yl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4-methyloxan-4-yl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide?

1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4,4-difluorocyclohexyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(6-ethoxy-3-pyridinyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4-isocyanooxan-4-yl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4-methyloxan-4-yl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 2478.88 g/mol, XLogP of 16.10, 25 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4,4-difluorocyclohexyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(6-ethoxy-3-pyridinyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4-isocyanooxan-4-yl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4-methyloxan-4-yl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 167600740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).