1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[[4-(cyanomethyl)oxan-4-yl]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)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)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide

C130H144F3N39O8 — CID 167647585

About 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[[4-(cyanomethyl)oxan-4-yl]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)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)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide

1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[[4-(cyanomethyl)oxan-4-yl]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)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)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide (PubChem CID 167647585) has the molecular formula C130H144F3N39O8 and a molecular weight of 2437.84 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-(cyanomethyl)oxan-4-yl]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)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)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]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-(cyanomethyl)oxan-4-yl]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)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)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide
• PubChem CID: 167647585
• Molecular Formula: C130H144F3N39O8
• Molecular Weight: 2437.84 g/mol
• Exact Mass: 2436.20
• IUPAC Name: 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[[4-(cyanomethyl)oxan-4-yl]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)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)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide
• SMILES: CCOc1ccc(CNC(=O)c2cnn(-c3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)c2)cn1.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NC4(C)CCOCC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NCC4(CC#N)CCOCC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NCc4ccc(C(F)(F)F)nc4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NCc4cccnc4)cn3)n2)cc2c1CCN(C)C2
• InChI: InChI=1S/C27H32N8O2.C27H30N8O2.C26H25F3N8O.C25H26N8O.C25H31N7O2/c1-18-11-19(12-20-15-34(2)8-3-22(18)20)23-14-30-24(29)25(33-23)35-16-21(13-32-35)26(36)31-17-27(4-7-28)5-9-37-10-6-27;1-4-37-24-6-5-18(11-29-24)12-31-27(36)21-13-32-35(16-21)26-25(28)30-14-23(33-26)19-9-17(2)22-7-8-34(3)15-20(22)10-19;1-15-7-17(8-18-13-36(2)6-5-20(15)18)21-12-32-23(30)24(35-21)37-14-19(11-34-37)25(38)33-10-16-3-4-22(31-9-16)26(27,28)29;1-16-8-18(9-19-14-32(2)7-5-21(16)19)22-13-28-23(26)24(31-22)33-15-20(12-30-33)25(34)29-11-17-4-3-6-27-10-17;1-16-10-17(11-18-14-31(3)7-4-20(16)18)21-13-27-22(26)23(29-21)32-15-19(12-28-32)24(33)30-25(2)5-8-34-9-6-25/h11-14,16H,3-6,8-10,15,17H2,1-2H3,(H2,29,30)(H,31,36);5-6,9-11,13-14,16H,4,7-8,12,15H2,1-3H3,(H2,28,30)(H,31,36);3-4,7-9,11-12,14H,5-6,10,13H2,1-2H3,(H2,30,32)(H,33,38);3-4,6,8-10,12-13,15H,5,7,11,14H2,1-2H3,(H2,26,28)(H,29,34);10-13,15H,4-9,14H2,1-3H3,(H2,26,27)(H,30,33)
• InChIKey: QCJAZTISMBIZRD-UHFFFAOYSA-N
• XLogP: 14.17
• TPSA: 599.95 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 42
• Rotatable Bonds: 27
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2437.84
LogP ≤ 5	14.17
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	42

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-(cyanomethyl)oxan-4-yl]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)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)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]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-(cyanomethyl)oxan-4-yl]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)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)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide (CID 167647585) is 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[[4-(cyanomethyl)oxan-4-yl]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)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)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]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-(cyanomethyl)oxan-4-yl]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)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)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]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-(cyanomethyl)oxan-4-yl]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)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)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide is CCOc1ccc(CNC(=O)c2cnn(-c3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)c2)cn1.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NC4(C)CCOCC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NCC4(CC#N)CCOCC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NCc4ccc(C(F)(F)F)nc4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NCc4cccnc4)cn3)n2)cc2c1CCN(C)C2.

What is the InChIKey of 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[[4-(cyanomethyl)oxan-4-yl]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)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)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide?

The InChIKey is QCJAZTISMBIZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N8O2.C27H30N8O2.C26H25F3N8O.C25H26N8O.C25H31N7O2/c1-18-11-19(12-20-15-34(2)8-3-22(18)20)23-14-30-24(29)25(33-23)35-16-21(13-32-35)26(36)31-17-27(4-7-28)5-9-37-10-6-27;1-4-37-24-6-5-18(11-29-24)12-31-27(36)21-13-32-35(16-21)26-25(28)30-14-23(33-26)19-9-17(2)22-7-8-34(3)15-20(22)10-19;1-15-7-17(8-18-13-36(2)6-5-20(15)18)21-12-32-23(30)24(35-21)37-14-19(11-34-37)25(38)33-10-16-3-4-22(31-9-16)26(27,28)29;1-16-8-18(9-19-14-32(2)7-5-21(16)19)22-13-28-23(26)24(31-22)33-15-20(12-30-33)25(34)29-11-17-4-3-6-27-10-17;1-16-10-17(11-18-14-31(3)7-4-20(16)18)21-13-27-22(26)23(29-21)32-15-19(12-28-32)24(33)30-25(2)5-8-34-9-6-25/h11-14,16H,3-6,8-10,15,17H2,1-2H3,(H2,29,30)(H,31,36);5-6,9-11,13-14,16H,4,7-8,12,15H2,1-3H3,(H2,28,30)(H,31,36);3-4,7-9,11-12,14H,5-6,10,13H2,1-2H3,(H2,30,32)(H,33,38);3-4,6,8-10,12-13,15H,5,7,11,14H2,1-2H3,(H2,26,28)(H,29,34);10-13,15H,4-9,14H2,1-3H3,(H2,26,27)(H,30,33).

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-(cyanomethyl)oxan-4-yl]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)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)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide?

1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[[4-(cyanomethyl)oxan-4-yl]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)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)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide has a molecular weight of 2437.84 g/mol, XLogP of 14.17, 27 rotatable bonds, 10 hydrogen bond donors, and 42 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-(cyanomethyl)oxan-4-yl]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)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)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 167647585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).