1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4-cyanooxan-4-yl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4,4-difluorocyclohexyl)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-[2-(oxan-4-yl)propan-2-yl]pyrazole-4-carboxamide

C105H129F2N29O7 — CID 167633532

About 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4-cyanooxan-4-yl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4,4-difluorocyclohexyl)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-[2-(oxan-4-yl)propan-2-yl]pyrazole-4-carboxamide

1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4-cyanooxan-4-yl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4,4-difluorocyclohexyl)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-[2-(oxan-4-yl)propan-2-yl]pyrazole-4-carboxamide (PubChem CID 167633532) has the molecular formula C105H129F2N29O7 and a molecular weight of 1947.38 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-cyanooxan-4-yl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4,4-difluorocyclohexyl)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-[2-(oxan-4-yl)propan-2-yl]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-cyanooxan-4-yl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4,4-difluorocyclohexyl)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-[2-(oxan-4-yl)propan-2-yl]pyrazole-4-carboxamide
• PubChem CID: 167633532
• Molecular Formula: C105H129F2N29O7
• Molecular Weight: 1947.38 g/mol
• Exact Mass: 1946.06
• IUPAC Name: 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4-cyanooxan-4-yl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4,4-difluorocyclohexyl)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-[2-(oxan-4-yl)propan-2-yl]pyrazole-4-carboxamide
• SMILES: Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NC(C)(C)C4CCOCC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NCC4(C#N)CCOCC4)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
• InChI: InChI=1S/C27H35N7O2.C26H31F2N7O.C26H30N8O2.C26H33N7O2/c1-17-11-18(12-19-15-33(4)8-5-22(17)19)23-14-29-24(28)25(31-23)34-16-20(13-30-34)26(35)32-27(2,3)21-6-9-36-10-7-21;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;1-17-9-18(10-19-13-33(2)6-3-21(17)19)22-12-29-23(28)24(32-22)34-14-20(11-31-34)25(35)30-16-26(15-27)4-7-36-8-5-26;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/h11-14,16,21H,5-10,15H2,1-4H3,(H2,28,29)(H,32,35);9-10,12-13,15,17H,3-8,11,14H2,1-2H3,(H2,29,30)(H,31,36);9-12,14H,3-8,13,16H2,1-2H3,(H2,28,29)(H,30,35);10-13,15H,4-9,14,16H2,1-3H3,(H2,27,28)(H,29,34)
• InChIKey: ODKTUTMDBNSFOK-UHFFFAOYSA-N
• XLogP: 11.92
• TPSA: 459.32 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 20
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1947.38
LogP ≤ 5	11.92
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

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-cyanooxan-4-yl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4,4-difluorocyclohexyl)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-[2-(oxan-4-yl)propan-2-yl]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-cyanooxan-4-yl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4,4-difluorocyclohexyl)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-[2-(oxan-4-yl)propan-2-yl]pyrazole-4-carboxamide (CID 167633532) is 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4-cyanooxan-4-yl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4,4-difluorocyclohexyl)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-[2-(oxan-4-yl)propan-2-yl]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-cyanooxan-4-yl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4,4-difluorocyclohexyl)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-[2-(oxan-4-yl)propan-2-yl]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-cyanooxan-4-yl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4,4-difluorocyclohexyl)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-[2-(oxan-4-yl)propan-2-yl]pyrazole-4-carboxamide is Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NC(C)(C)C4CCOCC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NCC4(C#N)CCOCC4)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.

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

The InChIKey is ODKTUTMDBNSFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N7O2.C26H31F2N7O.C26H30N8O2.C26H33N7O2/c1-17-11-18(12-19-15-33(4)8-5-22(17)19)23-14-29-24(28)25(31-23)34-16-20(13-30-34)26(35)32-27(2,3)21-6-9-36-10-7-21;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;1-17-9-18(10-19-13-33(2)6-3-21(17)19)22-12-29-23(28)24(32-22)34-14-20(11-31-34)25(35)30-16-26(15-27)4-7-36-8-5-26;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/h11-14,16,21H,5-10,15H2,1-4H3,(H2,28,29)(H,32,35);9-10,12-13,15,17H,3-8,11,14H2,1-2H3,(H2,29,30)(H,31,36);9-12,14H,3-8,13,16H2,1-2H3,(H2,28,29)(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-cyanooxan-4-yl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4,4-difluorocyclohexyl)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-[2-(oxan-4-yl)propan-2-yl]pyrazole-4-carboxamide?

1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4-cyanooxan-4-yl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4,4-difluorocyclohexyl)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-[2-(oxan-4-yl)propan-2-yl]pyrazole-4-carboxamide has a molecular weight of 1947.38 g/mol, XLogP of 11.92, 20 rotatable bonds, 8 hydrogen bond donors, and 32 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-cyanooxan-4-yl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(4,4-difluorocyclohexyl)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-[2-(oxan-4-yl)propan-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 167633532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).