3-amino-6-methyl-N-(3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinolin-7-yl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(7S)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinolin-7-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(7R)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinolin-7-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl 4-[7-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroisoquinolin-3-yl]piperazine-1-carboxylate;tert-butyl 4-(7-amino-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazine-1-carboxylate

C120H148N30O10S5 — CID 158309301

About 3-amino-6-methyl-N-(3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinolin-7-yl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(7S)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinolin-7-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(7R)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinolin-7-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl 4-[7-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroisoquinolin-3-yl]piperazine-1-carboxylate;tert-butyl 4-(7-amino-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazine-1-carboxylate

3-amino-6-methyl-N-(3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinolin-7-yl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(7S)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinolin-7-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(7R)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinolin-7-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl 4-[7-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroisoquinolin-3-yl]piperazine-1-carboxylate;tert-butyl 4-(7-amino-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazine-1-carboxylate (PubChem CID 158309301) has the molecular formula C120H148N30O10S5 and a molecular weight of 2331.04 g/mol. Its IUPAC name is 3-amino-6-methyl-N-(3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinolin-7-yl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(7S)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinolin-7-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(7R)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinolin-7-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl 4-[7-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroisoquinolin-3-yl]piperazine-1-carboxylate;tert-butyl 4-(7-amino-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazine-1-carboxylate.

Molecular Properties

• Compound Name: 3-amino-6-methyl-N-(3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinolin-7-yl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(7S)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinolin-7-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(7R)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinolin-7-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl 4-[7-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroisoquinolin-3-yl]piperazine-1-carboxylate;tert-butyl 4-(7-amino-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazine-1-carboxylate
• PubChem CID: 158309301
• Molecular Formula: C120H148N30O10S5
• Molecular Weight: 2331.04 g/mol
• Exact Mass: 2329.06
• IUPAC Name: 3-amino-6-methyl-N-(3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinolin-7-yl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(7S)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinolin-7-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(7R)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinolin-7-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl 4-[7-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroisoquinolin-3-yl]piperazine-1-carboxylate;tert-butyl 4-(7-amino-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCN(c2cc3c(cn2)CC(N)CC3)CC1.Cc1ccc2c(N)c(C(=O)NC3CCc4cc(N5CCN(C(=O)OC(C)(C)C)CC5)ncc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)NC3CCc4cc(N5CCNCC5)ncc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@@H]3CCc4cc(N5CCNCC5)ncc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4cc(N5CCNCC5)ncc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)O)sc2n1
• InChI: InChI=1S/C27H34N6O3S.3C22H26N6OS.C18H28N4O2.C9H8N2O2S/c1-16-5-8-20-22(28)23(37-25(20)30-16)24(34)31-19-7-6-17-14-21(29-15-18(17)13-19)32-9-11-33(12-10-32)26(35)36-27(2,3)4;3*1-13-2-5-17-19(23)20(30-22(17)26-13)21(29)27-16-4-3-14-11-18(25-12-15(14)10-16)28-8-6-24-7-9-28;1-18(2,3)24-17(23)22-8-6-21(7-9-22)16-11-13-4-5-15(19)10-14(13)12-20-16;1-4-2-3-5-6(10)7(9(12)13)14-8(5)11-4/h5,8,14-15,19H,6-7,9-13,28H2,1-4H3,(H,31,34);3*2,5,11-12,16,24H,3-4,6-10,23H2,1H3,(H,27,29);11-12,15H,4-10,19H2,1-3H3;2-3H,10H2,1H3,(H,12,13)/t;2*16-;;;/m.10.../s1
• InChIKey: GNMBZTDGQXLYMW-MPUJRRRASA-N
• XLogP: 14.60
• TPSA: 550.09 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 38
• Rotatable Bonds: 14
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2331.04
LogP ≤ 5	14.60
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-N-(3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinolin-7-yl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(7S)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinolin-7-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(7R)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinolin-7-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl 4-[7-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroisoquinolin-3-yl]piperazine-1-carboxylate;tert-butyl 4-(7-amino-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazine-1-carboxylate?

The IUPAC name of 3-amino-6-methyl-N-(3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinolin-7-yl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(7S)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinolin-7-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(7R)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinolin-7-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl 4-[7-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroisoquinolin-3-yl]piperazine-1-carboxylate;tert-butyl 4-(7-amino-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazine-1-carboxylate (CID 158309301) is 3-amino-6-methyl-N-(3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinolin-7-yl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(7S)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinolin-7-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(7R)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinolin-7-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl 4-[7-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroisoquinolin-3-yl]piperazine-1-carboxylate;tert-butyl 4-(7-amino-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazine-1-carboxylate.

What is the SMILES notation for 3-amino-6-methyl-N-(3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinolin-7-yl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(7S)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinolin-7-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(7R)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinolin-7-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl 4-[7-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroisoquinolin-3-yl]piperazine-1-carboxylate;tert-butyl 4-(7-amino-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazine-1-carboxylate?

The canonical SMILES for 3-amino-6-methyl-N-(3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinolin-7-yl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(7S)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinolin-7-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(7R)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinolin-7-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl 4-[7-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroisoquinolin-3-yl]piperazine-1-carboxylate;tert-butyl 4-(7-amino-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2cc3c(cn2)CC(N)CC3)CC1.Cc1ccc2c(N)c(C(=O)NC3CCc4cc(N5CCN(C(=O)OC(C)(C)C)CC5)ncc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)NC3CCc4cc(N5CCNCC5)ncc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@@H]3CCc4cc(N5CCNCC5)ncc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4cc(N5CCNCC5)ncc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)O)sc2n1.

What is the InChIKey of 3-amino-6-methyl-N-(3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinolin-7-yl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(7S)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinolin-7-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(7R)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinolin-7-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl 4-[7-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroisoquinolin-3-yl]piperazine-1-carboxylate;tert-butyl 4-(7-amino-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazine-1-carboxylate?

The InChIKey is GNMBZTDGQXLYMW-MPUJRRRASA-N. The full InChI is InChI=1S/C27H34N6O3S.3C22H26N6OS.C18H28N4O2.C9H8N2O2S/c1-16-5-8-20-22(28)23(37-25(20)30-16)24(34)31-19-7-6-17-14-21(29-15-18(17)13-19)32-9-11-33(12-10-32)26(35)36-27(2,3)4;3*1-13-2-5-17-19(23)20(30-22(17)26-13)21(29)27-16-4-3-14-11-18(25-12-15(14)10-16)28-8-6-24-7-9-28;1-18(2,3)24-17(23)22-8-6-21(7-9-22)16-11-13-4-5-15(19)10-14(13)12-20-16;1-4-2-3-5-6(10)7(9(12)13)14-8(5)11-4/h5,8,14-15,19H,6-7,9-13,28H2,1-4H3,(H,31,34);3*2,5,11-12,16,24H,3-4,6-10,23H2,1H3,(H,27,29);11-12,15H,4-10,19H2,1-3H3;2-3H,10H2,1H3,(H,12,13)/t;2*16-;;;/m.10.../s1.

What are the key properties of 3-amino-6-methyl-N-(3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinolin-7-yl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(7S)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinolin-7-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(7R)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinolin-7-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl 4-[7-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroisoquinolin-3-yl]piperazine-1-carboxylate;tert-butyl 4-(7-amino-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazine-1-carboxylate?

3-amino-6-methyl-N-(3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinolin-7-yl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(7S)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinolin-7-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(7R)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinolin-7-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl 4-[7-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroisoquinolin-3-yl]piperazine-1-carboxylate;tert-butyl 4-(7-amino-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazine-1-carboxylate has a molecular weight of 2331.04 g/mol, XLogP of 14.60, 14 rotatable bonds, 14 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-methyl-N-(3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinolin-7-yl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(7S)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinolin-7-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(7R)-3-piperazin-1-yl-5,6,7,8-tetrahydroisoquinolin-7-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl 4-[7-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,7,8-tetrahydroisoquinolin-3-yl]piperazine-1-carboxylate;tert-butyl 4-(7-amino-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazine-1-carboxylate is sourced from PubChem (CID 158309301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).