3-amino-N-(2-amino-4-pyridinyl)-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazine-2-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-chlorophenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide

C72H81ClN22O3 — CID 167617549

About 3-amino-N-(2-amino-4-pyridinyl)-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazine-2-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-chlorophenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide

3-amino-N-(2-amino-4-pyridinyl)-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazine-2-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-chlorophenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide (PubChem CID 167617549) has the molecular formula C72H81ClN22O3 and a molecular weight of 1338.04 g/mol. Its IUPAC name is 3-amino-N-(2-amino-4-pyridinyl)-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazine-2-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-chlorophenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-(2-amino-4-pyridinyl)-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazine-2-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-chlorophenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
• PubChem CID: 167617549
• Molecular Formula: C72H81ClN22O3
• Molecular Weight: 1338.04 g/mol
• Exact Mass: 1336.66
• IUPAC Name: 3-amino-N-(2-amino-4-pyridinyl)-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazine-2-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-chlorophenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
• SMILES: Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)c4ccccc4Cl)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NCCN4CCCC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(C(=O)Nc3ccnc(N)c3)n2)cc2c1CCN(C)C2
• InChI: InChI=1S/C26H26ClN7O.C25H32N8O.C21H23N7O/c1-16-10-17(11-18-14-32(2)9-8-20(16)18)22-13-29-24(28)25(31-22)34-15-19(12-30-34)26(35)33(3)23-7-5-4-6-21(23)27;1-17-11-18(12-19-15-31(2)9-5-21(17)19)22-14-28-23(26)24(30-22)33-16-20(13-29-33)25(34)27-6-10-32-7-3-4-8-32;1-12-7-13(8-14-11-28(2)6-4-16(12)14)17-10-25-20(23)19(27-17)21(29)26-15-3-5-24-18(22)9-15/h4-7,10-13,15H,8-9,14H2,1-3H3,(H2,28,29);11-14,16H,3-10,15H2,1-2H3,(H2,26,28)(H,27,34);3,5,7-10H,4,6,11H2,1-2H3,(H2,23,25)(H3,22,24,26,29)
• InChIKey: LYRDGXGAEDIYLZ-UHFFFAOYSA-N
• XLogP: 8.42
• TPSA: 321.42 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 13
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1338.04
LogP ≤ 5	8.42
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-amino-4-pyridinyl)-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazine-2-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-chlorophenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide?

The IUPAC name of 3-amino-N-(2-amino-4-pyridinyl)-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazine-2-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-chlorophenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide (CID 167617549) is 3-amino-N-(2-amino-4-pyridinyl)-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazine-2-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-chlorophenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide.

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

The canonical SMILES for 3-amino-N-(2-amino-4-pyridinyl)-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazine-2-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-chlorophenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide is Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)c4ccccc4Cl)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NCCN4CCCC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(C(=O)Nc3ccnc(N)c3)n2)cc2c1CCN(C)C2.

What is the InChIKey of 3-amino-N-(2-amino-4-pyridinyl)-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazine-2-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-chlorophenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide?

The InChIKey is LYRDGXGAEDIYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN7O.C25H32N8O.C21H23N7O/c1-16-10-17(11-18-14-32(2)9-8-20(16)18)22-13-29-24(28)25(31-22)34-15-19(12-30-34)26(35)33(3)23-7-5-4-6-21(23)27;1-17-11-18(12-19-15-31(2)9-5-21(17)19)22-14-28-23(26)24(30-22)33-16-20(13-29-33)25(34)27-6-10-32-7-3-4-8-32;1-12-7-13(8-14-11-28(2)6-4-16(12)14)17-10-25-20(23)19(27-17)21(29)26-15-3-5-24-18(22)9-15/h4-7,10-13,15H,8-9,14H2,1-3H3,(H2,28,29);11-14,16H,3-10,15H2,1-2H3,(H2,26,28)(H,27,34);3,5,7-10H,4,6,11H2,1-2H3,(H2,23,25)(H3,22,24,26,29).

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

3-amino-N-(2-amino-4-pyridinyl)-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazine-2-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-chlorophenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide has a molecular weight of 1338.04 g/mol, XLogP of 8.42, 13 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-(2-amino-4-pyridinyl)-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazine-2-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-chlorophenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 167617549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).