3-[4-[3-amino-6-[5-(cyclopropylamino)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-yl]oxypyrazol-1-yl]propanenitrile;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(hydroxymethyl)cyclopropyl]pyrazole-4-carboxamide;3-[1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-yl]oxy-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-ethylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine

C98H121N29O5 — CID 167608433

About 3-[4-[3-amino-6-[5-(cyclopropylamino)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-yl]oxypyrazol-1-yl]propanenitrile;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(hydroxymethyl)cyclopropyl]pyrazole-4-carboxamide;3-[1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-yl]oxy-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-ethylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine

3-[4-[3-amino-6-[5-(cyclopropylamino)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-yl]oxypyrazol-1-yl]propanenitrile;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(hydroxymethyl)cyclopropyl]pyrazole-4-carboxamide;3-[1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-yl]oxy-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-ethylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine (PubChem CID 167608433) has the molecular formula C98H121N29O5 and a molecular weight of 1785.24 g/mol. Its IUPAC name is 3-[4-[3-amino-6-[5-(cyclopropylamino)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-yl]oxypyrazol-1-yl]propanenitrile;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(hydroxymethyl)cyclopropyl]pyrazole-4-carboxamide;3-[1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-yl]oxy-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-ethylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine.

Molecular Properties

• Compound Name: 3-[4-[3-amino-6-[5-(cyclopropylamino)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-yl]oxypyrazol-1-yl]propanenitrile;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(hydroxymethyl)cyclopropyl]pyrazole-4-carboxamide;3-[1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-yl]oxy-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-ethylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine
• PubChem CID: 167608433
• Molecular Formula: C98H121N29O5
• Molecular Weight: 1785.24 g/mol
• Exact Mass: 1784.01
• IUPAC Name: 3-[4-[3-amino-6-[5-(cyclopropylamino)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-yl]oxypyrazol-1-yl]propanenitrile;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(hydroxymethyl)cyclopropyl]pyrazole-4-carboxamide;3-[1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-yl]oxy-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-ethylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine
• SMILES: CCN1CCC(n2cc(Oc3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)cn2)CC1.CN1CCc2c(cc(-c3cnc(N)c(Oc4cnn(CCC#N)c4)n3)cc2NC2CC2)C1.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NC4(CO)CC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(Oc3cnn(C4CCN(CC5CC5)CC4)c3)n2)cc2c1CCN(C)C2
• InChI: InChI=1S/C27H35N7O.C25H33N7O.C23H26N8O.C23H27N7O2/c1-18-11-20(12-21-16-32(2)8-7-24(18)21)25-14-29-26(28)27(31-25)35-23-13-30-34(17-23)22-5-9-33(10-6-22)15-19-3-4-19;1-4-31-9-5-20(6-10-31)32-16-21(13-28-32)33-25-24(26)27-14-23(29-25)18-11-17(2)22-7-8-30(3)15-19(22)12-18;1-30-8-5-19-16(13-30)9-15(10-20(19)28-17-3-4-17)21-12-26-22(25)23(29-21)32-18-11-27-31(14-18)7-2-6-24;1-14-7-15(8-16-11-29(2)6-3-18(14)16)19-10-25-20(24)21(27-19)30-12-17(9-26-30)22(32)28-23(13-31)4-5-23/h11-14,17,19,22H,3-10,15-16H2,1-2H3,(H2,28,29);11-14,16,20H,4-10,15H2,1-3H3,(H2,26,27);9-12,14,17,28H,2-5,7-8,13H2,1H3,(H2,25,26);7-10,12,31H,3-6,11,13H2,1-2H3,(H2,24,25)(H,28,32)
• InChIKey: KRYKGACBEYSZCK-UHFFFAOYSA-N
• XLogP: 12.38
• TPSA: 410.76 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 23
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1785.24
LogP ≤ 5	12.38
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-amino-6-[5-(cyclopropylamino)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-yl]oxypyrazol-1-yl]propanenitrile;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(hydroxymethyl)cyclopropyl]pyrazole-4-carboxamide;3-[1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-yl]oxy-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-ethylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine?

The IUPAC name of 3-[4-[3-amino-6-[5-(cyclopropylamino)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-yl]oxypyrazol-1-yl]propanenitrile;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(hydroxymethyl)cyclopropyl]pyrazole-4-carboxamide;3-[1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-yl]oxy-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-ethylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine (CID 167608433) is 3-[4-[3-amino-6-[5-(cyclopropylamino)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-yl]oxypyrazol-1-yl]propanenitrile;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(hydroxymethyl)cyclopropyl]pyrazole-4-carboxamide;3-[1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-yl]oxy-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-ethylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine.

What is the SMILES notation for 3-[4-[3-amino-6-[5-(cyclopropylamino)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-yl]oxypyrazol-1-yl]propanenitrile;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(hydroxymethyl)cyclopropyl]pyrazole-4-carboxamide;3-[1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-yl]oxy-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-ethylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine?

The canonical SMILES for 3-[4-[3-amino-6-[5-(cyclopropylamino)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-yl]oxypyrazol-1-yl]propanenitrile;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(hydroxymethyl)cyclopropyl]pyrazole-4-carboxamide;3-[1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-yl]oxy-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-ethylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine is CCN1CCC(n2cc(Oc3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)cn2)CC1.CN1CCc2c(cc(-c3cnc(N)c(Oc4cnn(CCC#N)c4)n3)cc2NC2CC2)C1.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NC4(CO)CC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(Oc3cnn(C4CCN(CC5CC5)CC4)c3)n2)cc2c1CCN(C)C2.

What is the InChIKey of 3-[4-[3-amino-6-[5-(cyclopropylamino)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-yl]oxypyrazol-1-yl]propanenitrile;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(hydroxymethyl)cyclopropyl]pyrazole-4-carboxamide;3-[1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-yl]oxy-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-ethylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine?

The InChIKey is KRYKGACBEYSZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N7O.C25H33N7O.C23H26N8O.C23H27N7O2/c1-18-11-20(12-21-16-32(2)8-7-24(18)21)25-14-29-26(28)27(31-25)35-23-13-30-34(17-23)22-5-9-33(10-6-22)15-19-3-4-19;1-4-31-9-5-20(6-10-31)32-16-21(13-28-32)33-25-24(26)27-14-23(29-25)18-11-17(2)22-7-8-30(3)15-19(22)12-18;1-30-8-5-19-16(13-30)9-15(10-20(19)28-17-3-4-17)21-12-26-22(25)23(29-21)32-18-11-27-31(14-18)7-2-6-24;1-14-7-15(8-16-11-29(2)6-3-18(14)16)19-10-25-20(24)21(27-19)30-12-17(9-26-30)22(32)28-23(13-31)4-5-23/h11-14,17,19,22H,3-10,15-16H2,1-2H3,(H2,28,29);11-14,16,20H,4-10,15H2,1-3H3,(H2,26,27);9-12,14,17,28H,2-5,7-8,13H2,1H3,(H2,25,26);7-10,12,31H,3-6,11,13H2,1-2H3,(H2,24,25)(H,28,32).

What are the key properties of 3-[4-[3-amino-6-[5-(cyclopropylamino)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-yl]oxypyrazol-1-yl]propanenitrile;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(hydroxymethyl)cyclopropyl]pyrazole-4-carboxamide;3-[1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-yl]oxy-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-ethylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine?

3-[4-[3-amino-6-[5-(cyclopropylamino)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-yl]oxypyrazol-1-yl]propanenitrile;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(hydroxymethyl)cyclopropyl]pyrazole-4-carboxamide;3-[1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-yl]oxy-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-ethylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine has a molecular weight of 1785.24 g/mol, XLogP of 12.38, 23 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[3-amino-6-[5-(cyclopropylamino)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-yl]oxypyrazol-1-yl]propanenitrile;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(hydroxymethyl)cyclopropyl]pyrazole-4-carboxamide;3-[1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-yl]oxy-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-ethylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine is sourced from PubChem (CID 167608433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).