1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-cyclopentyloxyethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]-N-methylpyrazole-4-carboxamide;3-[1-(2,6-dichlorophenyl)pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine

C108H135Cl2N31O5 — CID 167554158

About 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-cyclopentyloxyethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]-N-methylpyrazole-4-carboxamide;3-[1-(2,6-dichlorophenyl)pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine

1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-cyclopentyloxyethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]-N-methylpyrazole-4-carboxamide;3-[1-(2,6-dichlorophenyl)pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine (PubChem CID 167554158) has the molecular formula C108H135Cl2N31O5 and a molecular weight of 2018.39 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-cyclopentyloxyethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]-N-methylpyrazole-4-carboxamide;3-[1-(2,6-dichlorophenyl)pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-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-cyclopentyloxyethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]-N-methylpyrazole-4-carboxamide;3-[1-(2,6-dichlorophenyl)pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine
• PubChem CID: 167554158
• Molecular Formula: C108H135Cl2N31O5
• Molecular Weight: 2018.39 g/mol
• Exact Mass: 2016.06
• IUPAC Name: 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-cyclopentyloxyethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]-N-methylpyrazole-4-carboxamide;3-[1-(2,6-dichlorophenyl)pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine
• SMILES: CCN1CCN(CCN(C)C(=O)c2cnn(-c3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)c2)CC1.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)CCN4CCN(CC5CC5)CC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NCCOC4CCCC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(Oc3cnn(-c4c(Cl)cccc4Cl)c3)n2)cc2c1CCN(C)C2
• InChI: InChI=1S/C30H41N9O.C28H39N9O.C26H33N7O2.C24H22Cl2N6O/c1-21-14-23(15-24-19-35(2)7-6-26(21)24)27-17-32-28(31)29(34-27)39-20-25(16-33-39)30(40)36(3)8-9-37-10-12-38(13-11-37)18-22-4-5-22;1-5-35-10-12-36(13-11-35)9-8-34(4)28(38)23-16-31-37(19-23)27-26(29)30-17-25(32-27)21-14-20(2)24-6-7-33(3)18-22(24)15-21;1-17-11-18(12-19-15-32(2)9-7-22(17)19)23-14-29-24(27)25(31-23)33-16-20(13-30-33)26(34)28-8-10-35-21-5-3-4-6-21;1-14-8-15(9-16-12-31(2)7-6-18(14)16)21-11-28-23(27)24(30-21)33-17-10-29-32(13-17)22-19(25)4-3-5-20(22)26/h14-17,20,22H,4-13,18-19H2,1-3H3,(H2,31,32);14-17,19H,5-13,18H2,1-4H3,(H2,29,30);11-14,16,21H,3-10,15H2,1-2H3,(H2,27,29)(H,28,34);3-5,8-11,13H,6-7,12H2,1-2H3,(H2,27,28)
• InChIKey: CUEPQELVSIJQSR-UHFFFAOYSA-N
• XLogP: 12.43
• TPSA: 392.58 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 26
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2018.39
LogP ≤ 5	12.43
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', '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-cyclopentyloxyethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]-N-methylpyrazole-4-carboxamide;3-[1-(2,6-dichlorophenyl)pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-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-cyclopentyloxyethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]-N-methylpyrazole-4-carboxamide;3-[1-(2,6-dichlorophenyl)pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine (CID 167554158) is 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-cyclopentyloxyethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]-N-methylpyrazole-4-carboxamide;3-[1-(2,6-dichlorophenyl)pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-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-cyclopentyloxyethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]-N-methylpyrazole-4-carboxamide;3-[1-(2,6-dichlorophenyl)pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-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-cyclopentyloxyethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]-N-methylpyrazole-4-carboxamide;3-[1-(2,6-dichlorophenyl)pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine is CCN1CCN(CCN(C)C(=O)c2cnn(-c3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)c2)CC1.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)CCN4CCN(CC5CC5)CC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NCCOC4CCCC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(Oc3cnn(-c4c(Cl)cccc4Cl)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-cyclopentyloxyethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]-N-methylpyrazole-4-carboxamide;3-[1-(2,6-dichlorophenyl)pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine?

The InChIKey is CUEPQELVSIJQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N9O.C28H39N9O.C26H33N7O2.C24H22Cl2N6O/c1-21-14-23(15-24-19-35(2)7-6-26(21)24)27-17-32-28(31)29(34-27)39-20-25(16-33-39)30(40)36(3)8-9-37-10-12-38(13-11-37)18-22-4-5-22;1-5-35-10-12-36(13-11-35)9-8-34(4)28(38)23-16-31-37(19-23)27-26(29)30-17-25(32-27)21-14-20(2)24-6-7-33(3)18-22(24)15-21;1-17-11-18(12-19-15-32(2)9-7-22(17)19)23-14-29-24(27)25(31-23)33-16-20(13-30-33)26(34)28-8-10-35-21-5-3-4-6-21;1-14-8-15(9-16-12-31(2)7-6-18(14)16)21-11-28-23(27)24(30-21)33-17-10-29-32(13-17)22-19(25)4-3-5-20(22)26/h14-17,20,22H,4-13,18-19H2,1-3H3,(H2,31,32);14-17,19H,5-13,18H2,1-4H3,(H2,29,30);11-14,16,21H,3-10,15H2,1-2H3,(H2,27,29)(H,28,34);3-5,8-11,13H,6-7,12H2,1-2H3,(H2,27,28).

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-cyclopentyloxyethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]-N-methylpyrazole-4-carboxamide;3-[1-(2,6-dichlorophenyl)pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine?

1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-cyclopentyloxyethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]-N-methylpyrazole-4-carboxamide;3-[1-(2,6-dichlorophenyl)pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine has a molecular weight of 2018.39 g/mol, XLogP of 12.43, 26 rotatable bonds, 5 hydrogen bond donors, and 33 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-cyclopentyloxyethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]-N-methylpyrazole-4-carboxamide;3-[1-(2,6-dichlorophenyl)pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine is sourced from PubChem (CID 167554158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).