3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclobutane-1-carbonitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-3-methylbutanenitrile;4-[4-[3-amino-6-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-yl]oxypyrazol-1-yl]-1-methylcyclohexan-1-ol;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(1-fluorocyclohexyl)methyl]pyrazol-4-yl]oxypyrazin-2-amine

C96H115FN26O5 — CID 167622218

About 3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclobutane-1-carbonitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-3-methylbutanenitrile;4-[4-[3-amino-6-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-yl]oxypyrazol-1-yl]-1-methylcyclohexan-1-ol;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(1-fluorocyclohexyl)methyl]pyrazol-4-yl]oxypyrazin-2-amine

3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclobutane-1-carbonitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-3-methylbutanenitrile;4-[4-[3-amino-6-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-yl]oxypyrazol-1-yl]-1-methylcyclohexan-1-ol;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(1-fluorocyclohexyl)methyl]pyrazol-4-yl]oxypyrazin-2-amine (PubChem CID 167622218) has the molecular formula C96H115FN26O5 and a molecular weight of 1732.15 g/mol. Its IUPAC name is 3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclobutane-1-carbonitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-3-methylbutanenitrile;4-[4-[3-amino-6-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-yl]oxypyrazol-1-yl]-1-methylcyclohexan-1-ol;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(1-fluorocyclohexyl)methyl]pyrazol-4-yl]oxypyrazin-2-amine.

Molecular Properties

• Compound Name: 3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclobutane-1-carbonitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-3-methylbutanenitrile;4-[4-[3-amino-6-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-yl]oxypyrazol-1-yl]-1-methylcyclohexan-1-ol;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(1-fluorocyclohexyl)methyl]pyrazol-4-yl]oxypyrazin-2-amine
• PubChem CID: 167622218
• Molecular Formula: C96H115FN26O5
• Molecular Weight: 1732.15 g/mol
• Exact Mass: 1730.95
• IUPAC Name: 3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclobutane-1-carbonitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-3-methylbutanenitrile;4-[4-[3-amino-6-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-yl]oxypyrazol-1-yl]-1-methylcyclohexan-1-ol;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(1-fluorocyclohexyl)methyl]pyrazol-4-yl]oxypyrazin-2-amine
• SMILES: Cc1cc(-c2cnc(N)c(Oc3cnn(C(C)(C)CC#N)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(Oc3cnn(C4CC(C#N)C4)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(Oc3cnn(C4CCC(C)(O)CC4)c3)n2)cc2c1CN(C)CC2.Cc1cc(-c2cnc(N)c(Oc3cnn(CC4(F)CCCCC4)c3)n2)cc2c1CCN(C)C2
• InChI: InChI=1S/C25H31FN6O.C25H32N6O2.C23H25N7O.C23H27N7O/c1-17-10-18(11-19-14-31(2)9-6-21(17)19)22-13-28-23(27)24(30-22)33-20-12-29-32(15-20)16-25(26)7-4-3-5-8-25;1-16-10-18(11-17-6-9-30(3)15-21(16)17)22-13-27-23(26)24(29-22)33-20-12-28-31(14-20)19-4-7-25(2,32)8-5-19;1-14-5-16(8-17-12-29(2)4-3-20(14)17)21-11-26-22(25)23(28-21)31-19-10-27-30(13-19)18-6-15(7-18)9-24;1-15-9-16(10-17-13-29(4)8-5-19(15)17)20-12-26-21(25)22(28-20)31-18-11-27-30(14-18)23(2,3)6-7-24/h10-13,15H,3-9,14,16H2,1-2H3,(H2,27,28);10-14,19,32H,4-9,15H2,1-3H3,(H2,26,27);5,8,10-11,13,15,18H,3-4,6-7,12H2,1-2H3,(H2,25,26);9-12,14H,5-6,8,13H2,1-4H3,(H2,25,26)
• InChIKey: MPHOJXLOFKAVKF-UHFFFAOYSA-N
• XLogP: 15.71
• TPSA: 396.17 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 18
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1732.15
LogP ≤ 5	15.71
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclobutane-1-carbonitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-3-methylbutanenitrile;4-[4-[3-amino-6-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-yl]oxypyrazol-1-yl]-1-methylcyclohexan-1-ol;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(1-fluorocyclohexyl)methyl]pyrazol-4-yl]oxypyrazin-2-amine?

The IUPAC name of 3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclobutane-1-carbonitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-3-methylbutanenitrile;4-[4-[3-amino-6-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-yl]oxypyrazol-1-yl]-1-methylcyclohexan-1-ol;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(1-fluorocyclohexyl)methyl]pyrazol-4-yl]oxypyrazin-2-amine (CID 167622218) is 3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclobutane-1-carbonitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-3-methylbutanenitrile;4-[4-[3-amino-6-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-yl]oxypyrazol-1-yl]-1-methylcyclohexan-1-ol;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(1-fluorocyclohexyl)methyl]pyrazol-4-yl]oxypyrazin-2-amine.

What is the SMILES notation for 3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclobutane-1-carbonitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-3-methylbutanenitrile;4-[4-[3-amino-6-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-yl]oxypyrazol-1-yl]-1-methylcyclohexan-1-ol;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(1-fluorocyclohexyl)methyl]pyrazol-4-yl]oxypyrazin-2-amine?

The canonical SMILES for 3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclobutane-1-carbonitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-3-methylbutanenitrile;4-[4-[3-amino-6-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-yl]oxypyrazol-1-yl]-1-methylcyclohexan-1-ol;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(1-fluorocyclohexyl)methyl]pyrazol-4-yl]oxypyrazin-2-amine is Cc1cc(-c2cnc(N)c(Oc3cnn(C(C)(C)CC#N)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(Oc3cnn(C4CC(C#N)C4)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(Oc3cnn(C4CCC(C)(O)CC4)c3)n2)cc2c1CN(C)CC2.Cc1cc(-c2cnc(N)c(Oc3cnn(CC4(F)CCCCC4)c3)n2)cc2c1CCN(C)C2.

What is the InChIKey of 3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclobutane-1-carbonitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-3-methylbutanenitrile;4-[4-[3-amino-6-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-yl]oxypyrazol-1-yl]-1-methylcyclohexan-1-ol;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(1-fluorocyclohexyl)methyl]pyrazol-4-yl]oxypyrazin-2-amine?

The InChIKey is MPHOJXLOFKAVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN6O.C25H32N6O2.C23H25N7O.C23H27N7O/c1-17-10-18(11-19-14-31(2)9-6-21(17)19)22-13-28-23(27)24(30-22)33-20-12-29-32(15-20)16-25(26)7-4-3-5-8-25;1-16-10-18(11-17-6-9-30(3)15-21(16)17)22-13-27-23(26)24(29-22)33-20-12-28-31(14-20)19-4-7-25(2,32)8-5-19;1-14-5-16(8-17-12-29(2)4-3-20(14)17)21-11-26-22(25)23(28-21)31-19-10-27-30(13-19)18-6-15(7-18)9-24;1-15-9-16(10-17-13-29(4)8-5-19(15)17)20-12-26-21(25)22(28-20)31-18-11-27-30(14-18)23(2,3)6-7-24/h10-13,15H,3-9,14,16H2,1-2H3,(H2,27,28);10-14,19,32H,4-9,15H2,1-3H3,(H2,26,27);5,8,10-11,13,15,18H,3-4,6-7,12H2,1-2H3,(H2,25,26);9-12,14H,5-6,8,13H2,1-4H3,(H2,25,26).

What are the key properties of 3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclobutane-1-carbonitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-3-methylbutanenitrile;4-[4-[3-amino-6-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-yl]oxypyrazol-1-yl]-1-methylcyclohexan-1-ol;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(1-fluorocyclohexyl)methyl]pyrazol-4-yl]oxypyrazin-2-amine?

3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclobutane-1-carbonitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-3-methylbutanenitrile;4-[4-[3-amino-6-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-yl]oxypyrazol-1-yl]-1-methylcyclohexan-1-ol;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(1-fluorocyclohexyl)methyl]pyrazol-4-yl]oxypyrazin-2-amine has a molecular weight of 1732.15 g/mol, XLogP of 15.71, 18 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclobutane-1-carbonitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-3-methylbutanenitrile;4-[4-[3-amino-6-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-yl]oxypyrazol-1-yl]-1-methylcyclohexan-1-ol;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(1-fluorocyclohexyl)methyl]pyrazol-4-yl]oxypyrazin-2-amine is sourced from PubChem (CID 167622218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).