1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-chloro-4-(morpholin-4-ylmethyl)phenyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]pyrazole-4-carboxamide;2-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclopropyl]acetonitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-3-methylbutanenitrile;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(2-isocyanopropyl)pyrazol-4-yl]oxypyrazin-2-amine

C128H151ClN38O7 — CID 167560320

About 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-chloro-4-(morpholin-4-ylmethyl)phenyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]pyrazole-4-carboxamide;2-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclopropyl]acetonitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-3-methylbutanenitrile;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(2-isocyanopropyl)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-chloro-4-(morpholin-4-ylmethyl)phenyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]pyrazole-4-carboxamide;2-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclopropyl]acetonitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-3-methylbutanenitrile;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(2-isocyanopropyl)pyrazol-4-yl]oxypyrazin-2-amine (PubChem CID 167560320) has the molecular formula C128H151ClN38O7 and a molecular weight of 2369.33 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-chloro-4-(morpholin-4-ylmethyl)phenyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]pyrazole-4-carboxamide;2-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclopropyl]acetonitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-3-methylbutanenitrile;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(2-isocyanopropyl)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-chloro-4-(morpholin-4-ylmethyl)phenyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]pyrazole-4-carboxamide;2-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclopropyl]acetonitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-3-methylbutanenitrile;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(2-isocyanopropyl)pyrazol-4-yl]oxypyrazin-2-amine
• PubChem CID: 167560320
• Molecular Formula: C128H151ClN38O7
• Molecular Weight: 2369.33 g/mol
• Exact Mass: 2367.23
• IUPAC Name: 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-chloro-4-(morpholin-4-ylmethyl)phenyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]pyrazole-4-carboxamide;2-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclopropyl]acetonitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-3-methylbutanenitrile;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(2-isocyanopropyl)pyrazol-4-yl]oxypyrazin-2-amine
• SMILES: Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NC4CCN(CCN5CCOCC5)CC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)Nc4ccc(CN5CCOCC5)cc4Cl)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(Oc3cnn(C(C)(C)CC#N)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(Oc3cnn(C4(CC#N)CC4)c3)n2)cc2c1CCN(C)C2.[C-]#[N+]C(C)Cn1cc(Oc2nc(-c3cc(C)c4c(c3)CN(C)CC4)cnc2N)cn1
• InChI: InChI=1S/C30H33ClN8O2.C30H41N9O2.C23H25N7O.C23H27N7O.C22H25N7O/c1-19-11-21(13-22-17-37(2)6-5-24(19)22)27-15-33-28(32)29(35-27)39-18-23(14-34-39)30(40)36-26-4-3-20(12-25(26)31)16-38-7-9-41-10-8-38;1-21-15-22(16-23-19-36(2)6-5-26(21)23)27-18-32-28(31)29(35-27)39-20-24(17-33-39)30(40)34-25-3-7-37(8-4-25)9-10-38-11-13-41-14-12-38;1-15-9-16(10-17-13-29(2)8-3-19(15)17)20-12-26-21(25)22(28-20)31-18-11-27-30(14-18)23(4-5-23)6-7-24;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;1-14-7-16(8-17-12-28(4)6-5-19(14)17)20-10-25-21(23)22(27-20)30-18-9-26-29(13-18)11-15(2)24-3/h3-4,11-15,18H,5-10,16-17H2,1-2H3,(H2,32,33)(H,36,40);15-18,20,25H,3-14,19H2,1-2H3,(H2,31,32)(H,34,40);9-12,14H,3-6,8,13H2,1-2H3,(H2,25,26);9-12,14H,5-6,8,13H2,1-4H3,(H2,25,26);7-10,13,15H,5-6,11-12H2,1-2,4H3,(H2,23,25)
• InChIKey: DOMKWMMUFRXWLY-UHFFFAOYSA-N
• XLogP: 16.07
• TPSA: 530.31 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 42
• Rotatable Bonds: 28
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2369.33
LogP ≤ 5	16.07
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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-chloro-4-(morpholin-4-ylmethyl)phenyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]pyrazole-4-carboxamide;2-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclopropyl]acetonitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-3-methylbutanenitrile;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(2-isocyanopropyl)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-chloro-4-(morpholin-4-ylmethyl)phenyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]pyrazole-4-carboxamide;2-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclopropyl]acetonitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-3-methylbutanenitrile;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(2-isocyanopropyl)pyrazol-4-yl]oxypyrazin-2-amine (CID 167560320) is 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-chloro-4-(morpholin-4-ylmethyl)phenyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]pyrazole-4-carboxamide;2-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclopropyl]acetonitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-3-methylbutanenitrile;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(2-isocyanopropyl)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-chloro-4-(morpholin-4-ylmethyl)phenyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]pyrazole-4-carboxamide;2-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclopropyl]acetonitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-3-methylbutanenitrile;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(2-isocyanopropyl)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-chloro-4-(morpholin-4-ylmethyl)phenyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]pyrazole-4-carboxamide;2-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclopropyl]acetonitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-3-methylbutanenitrile;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(2-isocyanopropyl)pyrazol-4-yl]oxypyrazin-2-amine is Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NC4CCN(CCN5CCOCC5)CC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)Nc4ccc(CN5CCOCC5)cc4Cl)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(Oc3cnn(C(C)(C)CC#N)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(Oc3cnn(C4(CC#N)CC4)c3)n2)cc2c1CCN(C)C2.[C-]#[N+]C(C)Cn1cc(Oc2nc(-c3cc(C)c4c(c3)CN(C)CC4)cnc2N)cn1.

What is the InChIKey of 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-chloro-4-(morpholin-4-ylmethyl)phenyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]pyrazole-4-carboxamide;2-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclopropyl]acetonitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-3-methylbutanenitrile;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(2-isocyanopropyl)pyrazol-4-yl]oxypyrazin-2-amine?

The InChIKey is DOMKWMMUFRXWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33ClN8O2.C30H41N9O2.C23H25N7O.C23H27N7O.C22H25N7O/c1-19-11-21(13-22-17-37(2)6-5-24(19)22)27-15-33-28(32)29(35-27)39-18-23(14-34-39)30(40)36-26-4-3-20(12-25(26)31)16-38-7-9-41-10-8-38;1-21-15-22(16-23-19-36(2)6-5-26(21)23)27-18-32-28(31)29(35-27)39-20-24(17-33-39)30(40)34-25-3-7-37(8-4-25)9-10-38-11-13-41-14-12-38;1-15-9-16(10-17-13-29(2)8-3-19(15)17)20-12-26-21(25)22(28-20)31-18-11-27-30(14-18)23(4-5-23)6-7-24;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;1-14-7-16(8-17-12-28(4)6-5-19(14)17)20-10-25-21(23)22(27-20)30-18-9-26-29(13-18)11-15(2)24-3/h3-4,11-15,18H,5-10,16-17H2,1-2H3,(H2,32,33)(H,36,40);15-18,20,25H,3-14,19H2,1-2H3,(H2,31,32)(H,34,40);9-12,14H,3-6,8,13H2,1-2H3,(H2,25,26);9-12,14H,5-6,8,13H2,1-4H3,(H2,25,26);7-10,13,15H,5-6,11-12H2,1-2,4H3,(H2,23,25).

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-chloro-4-(morpholin-4-ylmethyl)phenyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]pyrazole-4-carboxamide;2-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclopropyl]acetonitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-3-methylbutanenitrile;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(2-isocyanopropyl)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-chloro-4-(morpholin-4-ylmethyl)phenyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]pyrazole-4-carboxamide;2-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclopropyl]acetonitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-3-methylbutanenitrile;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(2-isocyanopropyl)pyrazol-4-yl]oxypyrazin-2-amine has a molecular weight of 2369.33 g/mol, XLogP of 16.07, 28 rotatable bonds, 7 hydrogen bond donors, and 42 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-chloro-4-(morpholin-4-ylmethyl)phenyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]pyrazole-4-carboxamide;2-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]cyclopropyl]acetonitrile;3-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]-3-methylbutanenitrile;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(2-isocyanopropyl)pyrazol-4-yl]oxypyrazin-2-amine is sourced from PubChem (CID 167560320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).