1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-methoxyethyl)-N-methylpyrazole-4-carboxamide;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-(3,3-difluoropyrrolidin-1-yl)methanone;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone;3-[[2-amino-3-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine

C118H143F2N35O8 — CID 167583633

About 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-methoxyethyl)-N-methylpyrazole-4-carboxamide;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-(3,3-difluoropyrrolidin-1-yl)methanone;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone;3-[[2-amino-3-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine

1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-methoxyethyl)-N-methylpyrazole-4-carboxamide;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-(3,3-difluoropyrrolidin-1-yl)methanone;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone;3-[[2-amino-3-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine (PubChem CID 167583633) has the molecular formula C118H143F2N35O8 and a molecular weight of 2217.67 g/mol. Its IUPAC name is 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-methoxyethyl)-N-methylpyrazole-4-carboxamide;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-(3,3-difluoropyrrolidin-1-yl)methanone;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone;3-[[2-amino-3-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine.

Molecular Properties

• Compound Name: 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-methoxyethyl)-N-methylpyrazole-4-carboxamide;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-(3,3-difluoropyrrolidin-1-yl)methanone;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone;3-[[2-amino-3-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine
• PubChem CID: 167583633
• Molecular Formula: C118H143F2N35O8
• Molecular Weight: 2217.67 g/mol
• Exact Mass: 2216.18
• IUPAC Name: 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-methoxyethyl)-N-methylpyrazole-4-carboxamide;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-(3,3-difluoropyrrolidin-1-yl)methanone;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone;3-[[2-amino-3-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine
• SMILES: COCCN(C)C(=O)c1cnn(-c2nc(-c3cc(C)c4c(c3)CN(C)CC4)cnc2N)c1.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N4CCC(F)(F)C4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N4CCN(C)CC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccnc(N)c3O[C@H]3CCOC3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(Oc3cnn(C4CCN(C)C4)c3)n2)cc2c1CCN(C)C2
• InChI: InChI=1S/C25H30N6O3.C24H30N8O.C23H25F2N7O.C23H29N7O2.C23H29N7O/c1-15-9-17(10-18-12-31(2)7-4-20(15)18)21-11-29-24(27)25(30-21)33-13-16-3-6-28-23(26)22(16)34-19-5-8-32-14-19;1-16-10-17(11-18-14-30(3)5-4-20(16)18)21-13-26-22(25)23(28-21)32-15-19(12-27-32)24(33)31-8-6-29(2)7-9-31;1-14-7-15(8-16-11-30(2)5-3-18(14)16)19-10-27-20(26)21(29-19)32-12-17(9-28-32)22(33)31-6-4-23(24,25)13-31;1-15-9-16(10-17-13-28(2)6-5-19(15)17)20-12-25-21(24)22(27-20)30-14-18(11-26-30)23(31)29(3)7-8-32-4;1-15-8-16(9-17-12-28(2)7-5-20(15)17)21-11-25-22(24)23(27-21)31-19-10-26-30(14-19)18-4-6-29(3)13-18/h3,6,9-11,19H,4-5,7-8,12-14H2,1-2H3,(H2,26,28)(H2,27,29);10-13,15H,4-9,14H2,1-3H3,(H2,25,26);7-10,12H,3-6,11,13H2,1-2H3,(H2,26,27);9-12,14H,5-8,13H2,1-4H3,(H2,24,25);8-11,14,18H,4-7,12-13H2,1-3H3,(H2,24,25)/t19-;;;;/m0..../s1
• InChIKey: HMRYZHALFLABAC-QMKYUQMLSA-N
• XLogP: 11.84
• TPSA: 498.95 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 22
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2217.67
LogP ≤ 5	11.84
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

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-(2-methoxyethyl)-N-methylpyrazole-4-carboxamide;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-(3,3-difluoropyrrolidin-1-yl)methanone;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone;3-[[2-amino-3-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine?

The IUPAC name of 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-methoxyethyl)-N-methylpyrazole-4-carboxamide;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-(3,3-difluoropyrrolidin-1-yl)methanone;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone;3-[[2-amino-3-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine (CID 167583633) is 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-methoxyethyl)-N-methylpyrazole-4-carboxamide;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-(3,3-difluoropyrrolidin-1-yl)methanone;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone;3-[[2-amino-3-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine.

What is the SMILES notation for 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-methoxyethyl)-N-methylpyrazole-4-carboxamide;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-(3,3-difluoropyrrolidin-1-yl)methanone;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone;3-[[2-amino-3-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine?

The canonical SMILES for 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-methoxyethyl)-N-methylpyrazole-4-carboxamide;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-(3,3-difluoropyrrolidin-1-yl)methanone;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone;3-[[2-amino-3-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine is COCCN(C)C(=O)c1cnn(-c2nc(-c3cc(C)c4c(c3)CN(C)CC4)cnc2N)c1.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N4CCC(F)(F)C4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N4CCN(C)CC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccnc(N)c3O[C@H]3CCOC3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(Oc3cnn(C4CCN(C)C4)c3)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-(2-methoxyethyl)-N-methylpyrazole-4-carboxamide;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-(3,3-difluoropyrrolidin-1-yl)methanone;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone;3-[[2-amino-3-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine?

The InChIKey is HMRYZHALFLABAC-QMKYUQMLSA-N. The full InChI is InChI=1S/C25H30N6O3.C24H30N8O.C23H25F2N7O.C23H29N7O2.C23H29N7O/c1-15-9-17(10-18-12-31(2)7-4-20(15)18)21-11-29-24(27)25(30-21)33-13-16-3-6-28-23(26)22(16)34-19-5-8-32-14-19;1-16-10-17(11-18-14-30(3)5-4-20(16)18)21-13-26-22(25)23(28-21)32-15-19(12-27-32)24(33)31-8-6-29(2)7-9-31;1-14-7-15(8-16-11-30(2)5-3-18(14)16)19-10-27-20(26)21(29-19)32-12-17(9-28-32)22(33)31-6-4-23(24,25)13-31;1-15-9-16(10-17-13-28(2)6-5-19(15)17)20-12-25-21(24)22(27-20)30-14-18(11-26-30)23(31)29(3)7-8-32-4;1-15-8-16(9-17-12-28(2)7-5-20(15)17)21-11-25-22(24)23(27-21)31-19-10-26-30(14-19)18-4-6-29(3)13-18/h3,6,9-11,19H,4-5,7-8,12-14H2,1-2H3,(H2,26,28)(H2,27,29);10-13,15H,4-9,14H2,1-3H3,(H2,25,26);7-10,12H,3-6,11,13H2,1-2H3,(H2,26,27);9-12,14H,5-8,13H2,1-4H3,(H2,24,25);8-11,14,18H,4-7,12-13H2,1-3H3,(H2,24,25)/t19-;;;;/m0..../s1.

What are the key properties of 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-methoxyethyl)-N-methylpyrazole-4-carboxamide;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-(3,3-difluoropyrrolidin-1-yl)methanone;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone;3-[[2-amino-3-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine?

1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-methoxyethyl)-N-methylpyrazole-4-carboxamide;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-(3,3-difluoropyrrolidin-1-yl)methanone;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone;3-[[2-amino-3-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine has a molecular weight of 2217.67 g/mol, XLogP of 11.84, 22 rotatable bonds, 6 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-(2-methoxyethyl)-N-methylpyrazole-4-carboxamide;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-(3,3-difluoropyrrolidin-1-yl)methanone;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone;3-[[2-amino-3-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine is sourced from PubChem (CID 167583633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).