1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopentylmethyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopentylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone

C131H169N39O5 — CID 167615280

About 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopentylmethyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopentylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone

1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopentylmethyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopentylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone (PubChem CID 167615280) has the molecular formula C131H169N39O5 and a molecular weight of 2370.06 g/mol. Its IUPAC name is 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopentylmethyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopentylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone.

Molecular Properties

• Compound Name: 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopentylmethyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopentylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone
• PubChem CID: 167615280
• Molecular Formula: C131H169N39O5
• Molecular Weight: 2370.06 g/mol
• Exact Mass: 2368.42
• IUPAC Name: 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopentylmethyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopentylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone
• SMILES: Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)CC4CCCC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)CCN4CCCCC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N4CC(N5CCN(C)CC5)C4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NCC4CCCC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NCCN4CCCCC4)cn3)n2)cc2c1CCN(C)C2
• InChI: InChI=1S/C27H35N9O.C27H36N8O.C26H34N8O.C26H33N7O.C25H31N7O/c1-18-10-19(11-20-14-33(3)5-4-23(18)20)24-13-29-25(28)26(31-24)36-15-21(12-30-36)27(37)35-16-22(17-35)34-8-6-32(2)7-9-34;1-19-13-20(14-21-17-32(2)10-7-23(19)21)24-16-29-25(28)26(31-24)35-18-22(15-30-35)27(36)33(3)11-12-34-8-5-4-6-9-34;1-18-12-19(13-20-16-32(2)10-6-22(18)20)23-15-29-24(27)25(31-23)34-17-21(14-30-34)26(35)28-7-11-33-8-4-3-5-9-33;1-17-10-19(11-20-15-31(2)9-8-22(17)20)23-13-28-24(27)25(30-23)33-16-21(12-29-33)26(34)32(3)14-18-6-4-5-7-18;1-16-9-18(10-19-14-31(2)8-7-21(16)19)22-13-27-23(26)24(30-22)32-15-20(12-29-32)25(33)28-11-17-5-3-4-6-17/h10-13,15,22H,4-9,14,16-17H2,1-3H3,(H2,28,29);13-16,18H,4-12,17H2,1-3H3,(H2,28,29);12-15,17H,3-11,16H2,1-2H3,(H2,27,29)(H,28,35);10-13,16,18H,4-9,14-15H2,1-3H3,(H2,27,28);9-10,12-13,15,17H,3-8,11,14H2,1-2H3,(H2,26,27)(H,28,33)
• InChIKey: LQONWOGSNWTCFV-UHFFFAOYSA-N
• XLogP: 13.07
• TPSA: 496.39 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 39
• Rotatable Bonds: 26
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2370.06
LogP ≤ 5	13.07
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	39

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-(cyclopentylmethyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopentylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone?

The IUPAC name of 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopentylmethyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopentylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone (CID 167615280) is 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopentylmethyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopentylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone.

What is the SMILES notation for 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopentylmethyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopentylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone?

The canonical SMILES for 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopentylmethyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopentylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone is Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)CC4CCCC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)CCN4CCCCC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N4CC(N5CCN(C)CC5)C4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NCC4CCCC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NCCN4CCCCC4)cn3)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-(cyclopentylmethyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopentylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone?

The InChIKey is LQONWOGSNWTCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N9O.C27H36N8O.C26H34N8O.C26H33N7O.C25H31N7O/c1-18-10-19(11-20-14-33(3)5-4-23(18)20)24-13-29-25(28)26(31-24)36-15-21(12-30-36)27(37)35-16-22(17-35)34-8-6-32(2)7-9-34;1-19-13-20(14-21-17-32(2)10-7-23(19)21)24-16-29-25(28)26(31-24)35-18-22(15-30-35)27(36)33(3)11-12-34-8-5-4-6-9-34;1-18-12-19(13-20-16-32(2)10-6-22(18)20)23-15-29-24(27)25(31-23)34-17-21(14-30-34)26(35)28-7-11-33-8-4-3-5-9-33;1-17-10-19(11-20-15-31(2)9-8-22(17)20)23-13-28-24(27)25(30-23)33-16-21(12-29-33)26(34)32(3)14-18-6-4-5-7-18;1-16-9-18(10-19-14-31(2)8-7-21(16)19)22-13-27-23(26)24(30-22)32-15-20(12-29-32)25(33)28-11-17-5-3-4-6-17/h10-13,15,22H,4-9,14,16-17H2,1-3H3,(H2,28,29);13-16,18H,4-12,17H2,1-3H3,(H2,28,29);12-15,17H,3-11,16H2,1-2H3,(H2,27,29)(H,28,35);10-13,16,18H,4-9,14-15H2,1-3H3,(H2,27,28);9-10,12-13,15,17H,3-8,11,14H2,1-2H3,(H2,26,27)(H,28,33).

What are the key properties of 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopentylmethyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopentylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone?

1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopentylmethyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopentylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone has a molecular weight of 2370.06 g/mol, XLogP of 13.07, 26 rotatable bonds, 7 hydrogen bond donors, and 39 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-(cyclopentylmethyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopentylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide;[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 167615280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).