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

C98H122N24O9S4 — CID 167683589

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

3-amino-6-methyl-N-[(7S)-3-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-7-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(7R)-3-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-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-tetrahydroquinolin-3-yl]piperazine-1-carboxylate;tert-butyl 4-(7-amino-5,6,7,8-tetrahydroquinolin-3-yl)piperazine-1-carboxylate (PubChem CID 167683589) has the molecular formula C98H122N24O9S4 and a molecular weight of 1908.48 g/mol. Its IUPAC name is 3-amino-6-methyl-N-[(7S)-3-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-7-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(7R)-3-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-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-tetrahydroquinolin-3-yl]piperazine-1-carboxylate;tert-butyl 4-(7-amino-5,6,7,8-tetrahydroquinolin-3-yl)piperazine-1-carboxylate.

Molecular Properties

• Compound Name: 3-amino-6-methyl-N-[(7S)-3-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-7-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(7R)-3-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-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-tetrahydroquinolin-3-yl]piperazine-1-carboxylate;tert-butyl 4-(7-amino-5,6,7,8-tetrahydroquinolin-3-yl)piperazine-1-carboxylate
• PubChem CID: 167683589
• Molecular Formula: C98H122N24O9S4
• Molecular Weight: 1908.48 g/mol
• Exact Mass: 1906.87
• IUPAC Name: 3-amino-6-methyl-N-[(7S)-3-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-7-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(7R)-3-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-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-tetrahydroquinolin-3-yl]piperazine-1-carboxylate;tert-butyl 4-(7-amino-5,6,7,8-tetrahydroquinolin-3-yl)piperazine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCN(c2cnc3c(c2)CCC(N)C3)CC1.Cc1ccc2c(N)c(C(=O)NC3CCc4cc(N5CCN(C(=O)OC(C)(C)C)CC5)cnc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@@H]3CCc4cc(N5CCNCC5)cnc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4cc(N5CCNCC5)cnc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)O)sc2n1
• InChI: InChI=1S/C27H34N6O3S.2C22H26N6OS.C18H28N4O2.C9H8N2O2S/c1-16-5-8-20-22(28)23(37-25(20)30-16)24(34)31-18-7-6-17-13-19(15-29-21(17)14-18)32-9-11-33(12-10-32)26(35)36-27(2,3)4;2*1-13-2-5-17-19(23)20(30-22(17)26-13)21(29)27-15-4-3-14-10-16(12-25-18(14)11-15)28-8-6-24-7-9-28;1-18(2,3)24-17(23)22-8-6-21(7-9-22)15-10-13-4-5-14(19)11-16(13)20-12-15;1-4-2-3-5-6(10)7(9(12)13)14-8(5)11-4/h5,8,13,15,18H,6-7,9-12,14,28H2,1-4H3,(H,31,34);2*2,5,10,12,15,24H,3-4,6-9,11,23H2,1H3,(H,27,29);10,12,14H,4-9,11,19H2,1-3H3;2-3H,10H2,1H3,(H,12,13)/t;2*15-;;/m.10../s1
• InChIKey: VWVXOEKMYOEINJ-FFCQYTTBSA-N
• XLogP: 12.32
• TPSA: 453.92 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 31
• Rotatable Bonds: 11
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1908.48
LogP ≤ 5	12.32
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

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

The IUPAC name of 3-amino-6-methyl-N-[(7S)-3-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-7-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(7R)-3-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-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-tetrahydroquinolin-3-yl]piperazine-1-carboxylate;tert-butyl 4-(7-amino-5,6,7,8-tetrahydroquinolin-3-yl)piperazine-1-carboxylate (CID 167683589) is 3-amino-6-methyl-N-[(7S)-3-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-7-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(7R)-3-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-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-tetrahydroquinolin-3-yl]piperazine-1-carboxylate;tert-butyl 4-(7-amino-5,6,7,8-tetrahydroquinolin-3-yl)piperazine-1-carboxylate.

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

The canonical SMILES for 3-amino-6-methyl-N-[(7S)-3-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-7-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(7R)-3-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-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-tetrahydroquinolin-3-yl]piperazine-1-carboxylate;tert-butyl 4-(7-amino-5,6,7,8-tetrahydroquinolin-3-yl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2cnc3c(c2)CCC(N)C3)CC1.Cc1ccc2c(N)c(C(=O)NC3CCc4cc(N5CCN(C(=O)OC(C)(C)C)CC5)cnc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@@H]3CCc4cc(N5CCNCC5)cnc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4cc(N5CCNCC5)cnc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)O)sc2n1.

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

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

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

3-amino-6-methyl-N-[(7S)-3-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-7-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(7R)-3-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-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-tetrahydroquinolin-3-yl]piperazine-1-carboxylate;tert-butyl 4-(7-amino-5,6,7,8-tetrahydroquinolin-3-yl)piperazine-1-carboxylate has a molecular weight of 1908.48 g/mol, XLogP of 12.32, 11 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-methyl-N-[(7S)-3-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-7-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(7R)-3-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-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-tetrahydroquinolin-3-yl]piperazine-1-carboxylate;tert-butyl 4-(7-amino-5,6,7,8-tetrahydroquinolin-3-yl)piperazine-1-carboxylate is sourced from PubChem (CID 167683589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).