[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]imidazol-1-yl]-pyrrolidin-1-ylmethanone;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3R)-oxolan-3-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide

C118H141N35O9 — CID 167543623

About [4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]imidazol-1-yl]-pyrrolidin-1-ylmethanone;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3R)-oxolan-3-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide

[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]imidazol-1-yl]-pyrrolidin-1-ylmethanone;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3R)-oxolan-3-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide (PubChem CID 167543623) has the molecular formula C118H141N35O9 and a molecular weight of 2193.66 g/mol. Its IUPAC name is [4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]imidazol-1-yl]-pyrrolidin-1-ylmethanone;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3R)-oxolan-3-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: [4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]imidazol-1-yl]-pyrrolidin-1-ylmethanone;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3R)-oxolan-3-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
• PubChem CID: 167543623
• Molecular Formula: C118H141N35O9
• Molecular Weight: 2193.66 g/mol
• Exact Mass: 2192.17
• IUPAC Name: [4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]imidazol-1-yl]-pyrrolidin-1-ylmethanone;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3R)-oxolan-3-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
• SMILES: Cc1cc(-c2cnc(N)c(-c3cn(C(=O)N4CCCC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)C4CCOC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)C4CCOCC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N[C@@H]4CCOC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N[C@H]4CCOC4)cn3)n2)cc2c1CCN(C)C2
• InChI: InChI=1S/C25H31N7O2.C24H29N7O2.2C23H27N7O2.C23H27N7O/c1-16-10-17(11-18-14-30(2)7-4-21(16)18)22-13-27-23(26)24(29-22)32-15-19(12-28-32)25(33)31(3)20-5-8-34-9-6-20;1-15-8-16(9-17-12-29(2)6-4-20(15)17)21-11-26-22(25)23(28-21)31-13-18(10-27-31)24(32)30(3)19-5-7-33-14-19;2*1-14-7-15(8-16-11-29(2)5-3-19(14)16)20-10-25-21(24)22(28-20)30-12-17(9-26-30)23(31)27-18-4-6-32-13-18;1-15-9-16(10-17-12-28(2)8-5-18(15)17)19-11-25-22(24)21(27-19)20-13-30(14-26-20)23(31)29-6-3-4-7-29/h10-13,15,20H,4-9,14H2,1-3H3,(H2,26,27);8-11,13,19H,4-7,12,14H2,1-3H3,(H2,25,26);2*7-10,12,18H,3-6,11,13H2,1-2H3,(H2,24,25)(H,27,31);9-11,13-14H,3-8,12H2,1-2H3,(H2,24,25)/t;;2*18-;/m..10./s1
• InChIKey: BMYRSOZAHJOARY-ODJWXCIKSA-N
• XLogP: 10.93
• TPSA: 520.35 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 39
• Rotatable Bonds: 18
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2193.66
LogP ≤ 5	10.93
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of [4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]imidazol-1-yl]-pyrrolidin-1-ylmethanone;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3R)-oxolan-3-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide?

The IUPAC name of [4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]imidazol-1-yl]-pyrrolidin-1-ylmethanone;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3R)-oxolan-3-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide (CID 167543623) is [4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]imidazol-1-yl]-pyrrolidin-1-ylmethanone;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3R)-oxolan-3-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide.

What is the SMILES notation for [4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]imidazol-1-yl]-pyrrolidin-1-ylmethanone;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3R)-oxolan-3-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide?

The canonical SMILES for [4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]imidazol-1-yl]-pyrrolidin-1-ylmethanone;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3R)-oxolan-3-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide is Cc1cc(-c2cnc(N)c(-c3cn(C(=O)N4CCCC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)C4CCOC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)C4CCOCC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N[C@@H]4CCOC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N[C@H]4CCOC4)cn3)n2)cc2c1CCN(C)C2.

What is the InChIKey of [4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]imidazol-1-yl]-pyrrolidin-1-ylmethanone;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3R)-oxolan-3-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide?

The InChIKey is BMYRSOZAHJOARY-ODJWXCIKSA-N. The full InChI is InChI=1S/C25H31N7O2.C24H29N7O2.2C23H27N7O2.C23H27N7O/c1-16-10-17(11-18-14-30(2)7-4-21(16)18)22-13-27-23(26)24(29-22)32-15-19(12-28-32)25(33)31(3)20-5-8-34-9-6-20;1-15-8-16(9-17-12-29(2)6-4-20(15)17)21-11-26-22(25)23(28-21)31-13-18(10-27-31)24(32)30(3)19-5-7-33-14-19;2*1-14-7-15(8-16-11-29(2)5-3-19(14)16)20-10-25-21(24)22(28-20)30-12-17(9-26-30)23(31)27-18-4-6-32-13-18;1-15-9-16(10-17-12-28(2)8-5-18(15)17)19-11-25-22(24)21(27-19)20-13-30(14-26-20)23(31)29-6-3-4-7-29/h10-13,15,20H,4-9,14H2,1-3H3,(H2,26,27);8-11,13,19H,4-7,12,14H2,1-3H3,(H2,25,26);2*7-10,12,18H,3-6,11,13H2,1-2H3,(H2,24,25)(H,27,31);9-11,13-14H,3-8,12H2,1-2H3,(H2,24,25)/t;;2*18-;/m..10./s1.

What are the key properties of [4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]imidazol-1-yl]-pyrrolidin-1-ylmethanone;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3R)-oxolan-3-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide?

[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]imidazol-1-yl]-pyrrolidin-1-ylmethanone;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3R)-oxolan-3-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide has a molecular weight of 2193.66 g/mol, XLogP of 10.93, 18 rotatable bonds, 7 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]imidazol-1-yl]-pyrrolidin-1-ylmethanone;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3R)-oxolan-3-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 167543623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).