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-[(4-fluorooxan-4-yl)methyl]pyrazol-4-yl]oxypyrazin-2-amine

C72H88FN19O5 — CID 167549024

About 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-[(4-fluorooxan-4-yl)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]-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-[(4-fluorooxan-4-yl)methyl]pyrazol-4-yl]oxypyrazin-2-amine (PubChem CID 167549024) has the molecular formula C72H88FN19O5 and a molecular weight of 1318.62 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]-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-[(4-fluorooxan-4-yl)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]-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-[(4-fluorooxan-4-yl)methyl]pyrazol-4-yl]oxypyrazin-2-amine
• PubChem CID: 167549024
• Molecular Formula: C72H88FN19O5
• Molecular Weight: 1318.62 g/mol
• Exact Mass: 1317.72
• IUPAC Name: 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-[(4-fluorooxan-4-yl)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(C4CCC(C)(O)CC4)c3)n2)cc2c1CN(C)CC2.Cc1cc(-c2cnc(N)c(Oc3cnn(CC4(F)CCOCC4)c3)n2)cc2c1CCN(C)C2
• InChI: InChI=1S/C25H32N6O2.C24H29FN6O2.C23H27N7O/c1-16-10-18(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;1-16-9-17(10-18-13-30(2)6-3-20(16)18)21-12-27-22(26)23(29-21)33-19-11-28-31(14-19)15-24(25)4-7-32-8-5-24;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/h10-14,19,32H,4-9,15H2,1-3H3,(H2,26,27);9-12,14H,3-8,13,15H2,1-2H3,(H2,26,27);9-12,14H,5-6,8,13H2,1-4H3,(H2,25,26)
• InChIKey: CEBNEVLLEQMCCC-UHFFFAOYSA-N
• XLogP: 11.07
• TPSA: 299.52 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1318.62
LogP ≤ 5	11.07
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

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]-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-[(4-fluorooxan-4-yl)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]-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-[(4-fluorooxan-4-yl)methyl]pyrazol-4-yl]oxypyrazin-2-amine (CID 167549024) is 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-[(4-fluorooxan-4-yl)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]-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-[(4-fluorooxan-4-yl)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]-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-[(4-fluorooxan-4-yl)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(C4CCC(C)(O)CC4)c3)n2)cc2c1CN(C)CC2.Cc1cc(-c2cnc(N)c(Oc3cnn(CC4(F)CCOCC4)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]-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-[(4-fluorooxan-4-yl)methyl]pyrazol-4-yl]oxypyrazin-2-amine?

The InChIKey is CEBNEVLLEQMCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O2.C24H29FN6O2.C23H27N7O/c1-16-10-18(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;1-16-9-17(10-18-13-30(2)6-3-20(16)18)21-12-27-22(26)23(29-21)33-19-11-28-31(14-19)15-24(25)4-7-32-8-5-24;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/h10-14,19,32H,4-9,15H2,1-3H3,(H2,26,27);9-12,14H,3-8,13,15H2,1-2H3,(H2,26,27);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]-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-[(4-fluorooxan-4-yl)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]-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-[(4-fluorooxan-4-yl)methyl]pyrazol-4-yl]oxypyrazin-2-amine has a molecular weight of 1318.62 g/mol, XLogP of 11.07, 14 rotatable bonds, 4 hydrogen bond donors, and 24 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]-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-[(4-fluorooxan-4-yl)methyl]pyrazol-4-yl]oxypyrazin-2-amine is sourced from PubChem (CID 167549024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).