1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopropylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide

C70H84N22O4 — CID 167669096

About 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopropylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide

1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopropylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide (PubChem CID 167669096) has the molecular formula C70H84N22O4 and a molecular weight of 1297.59 g/mol. Its IUPAC name is 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopropylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopropylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide
• PubChem CID: 167669096
• Molecular Formula: C70H84N22O4
• Molecular Weight: 1297.59 g/mol
• Exact Mass: 1296.70
• IUPAC Name: 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopropylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide
• SMILES: Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NC4CC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NCC4CC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NCCN4CCOCC4)cn3)n2)cc2c1CCN(C)C2
• InChI: InChI=1S/C25H32N8O2.C23H27N7O.C22H25N7O/c1-17-11-18(12-19-15-31(2)5-3-21(17)19)22-14-28-23(26)24(30-22)33-16-20(13-29-33)25(34)27-4-6-32-7-9-35-10-8-32;1-14-7-16(8-17-12-29(2)6-5-19(14)17)20-11-25-21(24)22(28-20)30-13-18(10-27-30)23(31)26-9-15-3-4-15;1-13-7-14(8-15-11-28(2)6-5-18(13)15)19-10-24-20(23)21(27-19)29-12-16(9-25-29)22(30)26-17-3-4-17/h11-14,16H,3-10,15H2,1-2H3,(H2,26,28)(H,27,34);7-8,10-11,13,15H,3-6,9,12H2,1-2H3,(H2,24,25)(H,26,31);7-10,12,17H,3-6,11H2,1-2H3,(H2,23,24)(H,26,30)
• InChIKey: TVLFMQFIBKPKEL-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 318.35 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1297.59
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

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-(cyclopropylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide?

The IUPAC name of 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopropylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide (CID 167669096) is 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopropylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide.

What is the SMILES notation for 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopropylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide?

The canonical SMILES for 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopropylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide is Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NC4CC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NCC4CC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NCCN4CCOCC4)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-(cyclopropylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide?

The InChIKey is TVLFMQFIBKPKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N8O2.C23H27N7O.C22H25N7O/c1-17-11-18(12-19-15-31(2)5-3-21(17)19)22-14-28-23(26)24(30-22)33-16-20(13-29-33)25(34)27-4-6-32-7-9-35-10-8-32;1-14-7-16(8-17-12-29(2)6-5-19(14)17)20-11-25-21(24)22(28-20)30-13-18(10-27-30)23(31)26-9-15-3-4-15;1-13-7-14(8-15-11-28(2)6-5-18(13)15)19-10-24-20(23)21(27-19)29-12-16(9-25-29)22(30)26-17-3-4-17/h11-14,16H,3-10,15H2,1-2H3,(H2,26,28)(H,27,34);7-8,10-11,13,15H,3-6,9,12H2,1-2H3,(H2,24,25)(H,26,31);7-10,12,17H,3-6,11H2,1-2H3,(H2,23,24)(H,26,30).

What are the key properties of 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopropylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide?

1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopropylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide has a molecular weight of 1297.59 g/mol, XLogP of 5.72, 15 rotatable bonds, 6 hydrogen bond donors, and 23 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-(cyclopropylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 167669096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).