7-amino-N-[2-[3-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;tert-butyl 3-[4-(2-aminoethyl)-2-chlorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[2-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]ethyl]-2-chlorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;hydrochloride

C76H94Cl4N18O8S3 — CID 160564229

About 7-amino-N-[2-[3-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;tert-butyl 3-[4-(2-aminoethyl)-2-chlorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[2-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]ethyl]-2-chlorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;hydrochloride

7-amino-N-[2-[3-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;tert-butyl 3-[4-(2-aminoethyl)-2-chlorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[2-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]ethyl]-2-chlorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;hydrochloride (PubChem CID 160564229) has the molecular formula C76H94Cl4N18O8S3 and a molecular weight of 1625.72 g/mol. Its IUPAC name is 7-amino-N-[2-[3-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;tert-butyl 3-[4-(2-aminoethyl)-2-chlorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[2-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]ethyl]-2-chlorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;hydrochloride.

Molecular Properties

• Compound Name: 7-amino-N-[2-[3-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;tert-butyl 3-[4-(2-aminoethyl)-2-chlorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[2-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]ethyl]-2-chlorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;hydrochloride
• PubChem CID: 160564229
• Molecular Formula: C76H94Cl4N18O8S3
• Molecular Weight: 1625.72 g/mol
• Exact Mass: 1622.54
• IUPAC Name: 7-amino-N-[2-[3-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;tert-butyl 3-[4-(2-aminoethyl)-2-chlorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[2-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]ethyl]-2-chlorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;hydrochloride
• SMILES: CC(C)(C)OC(=O)N1C2CCC1CN(c1ccc(CCN)cc1Cl)C2.Cc1cnc2c(N)c(C(=O)NCCc3ccc(N4CC5CCC(C4)N5)c(Cl)c3)sc2n1.Cc1cnc2c(N)c(C(=O)NCCc3ccc(N4CC5CCC(C4)N5C(=O)OC(C)(C)C)c(Cl)c3)sc2n1.Cc1cnc2c(N)c(C(=O)O)sc2n1.Cl
• InChI: InChI=1S/C27H33ClN6O3S.C22H25ClN6OS.C19H28ClN3O2.C8H7N3O2S.ClH/c1-15-12-31-22-21(29)23(38-25(22)32-15)24(35)30-10-9-16-5-8-20(19(28)11-16)33-13-17-6-7-18(14-33)34(17)26(36)37-27(2,3)4;1-12-9-26-19-18(24)20(31-22(19)27-12)21(30)25-7-6-13-2-5-17(16(23)8-13)29-10-14-3-4-15(11-29)28-14;1-19(2,3)25-18(24)23-14-5-6-15(23)12-22(11-14)17-7-4-13(8-9-21)10-16(17)20;1-3-2-10-5-4(9)6(8(12)13)14-7(5)11-3;/h5,8,11-12,17-18H,6-7,9-10,13-14,29H2,1-4H3,(H,30,35);2,5,8-9,14-15,28H,3-4,6-7,10-11,24H2,1H3,(H,25,30);4,7,10,14-15H,5-6,8-9,11-12,21H2,1-3H3;2H,9H2,1H3,(H,12,13);1H
• InChIKey: WIZWYODFHDCRLU-UHFFFAOYSA-N
• XLogP: 13.08
• TPSA: 357.75 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1625.72
LogP ≤ 5	13.08
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-[3-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;tert-butyl 3-[4-(2-aminoethyl)-2-chlorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[2-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]ethyl]-2-chlorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;hydrochloride?

The IUPAC name of 7-amino-N-[2-[3-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;tert-butyl 3-[4-(2-aminoethyl)-2-chlorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[2-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]ethyl]-2-chlorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;hydrochloride (CID 160564229) is 7-amino-N-[2-[3-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;tert-butyl 3-[4-(2-aminoethyl)-2-chlorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[2-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]ethyl]-2-chlorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;hydrochloride.

What is the SMILES notation for 7-amino-N-[2-[3-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;tert-butyl 3-[4-(2-aminoethyl)-2-chlorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[2-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]ethyl]-2-chlorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;hydrochloride?

The canonical SMILES for 7-amino-N-[2-[3-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;tert-butyl 3-[4-(2-aminoethyl)-2-chlorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[2-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]ethyl]-2-chlorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;hydrochloride is CC(C)(C)OC(=O)N1C2CCC1CN(c1ccc(CCN)cc1Cl)C2.Cc1cnc2c(N)c(C(=O)NCCc3ccc(N4CC5CCC(C4)N5)c(Cl)c3)sc2n1.Cc1cnc2c(N)c(C(=O)NCCc3ccc(N4CC5CCC(C4)N5C(=O)OC(C)(C)C)c(Cl)c3)sc2n1.Cc1cnc2c(N)c(C(=O)O)sc2n1.Cl.

What is the InChIKey of 7-amino-N-[2-[3-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;tert-butyl 3-[4-(2-aminoethyl)-2-chlorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[2-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]ethyl]-2-chlorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;hydrochloride?

The InChIKey is WIZWYODFHDCRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClN6O3S.C22H25ClN6OS.C19H28ClN3O2.C8H7N3O2S.ClH/c1-15-12-31-22-21(29)23(38-25(22)32-15)24(35)30-10-9-16-5-8-20(19(28)11-16)33-13-17-6-7-18(14-33)34(17)26(36)37-27(2,3)4;1-12-9-26-19-18(24)20(31-22(19)27-12)21(30)25-7-6-13-2-5-17(16(23)8-13)29-10-14-3-4-15(11-29)28-14;1-19(2,3)25-18(24)23-14-5-6-15(23)12-22(11-14)17-7-4-13(8-9-21)10-16(17)20;1-3-2-10-5-4(9)6(8(12)13)14-7(5)11-3;/h5,8,11-12,17-18H,6-7,9-10,13-14,29H2,1-4H3,(H,30,35);2,5,8-9,14-15,28H,3-4,6-7,10-11,24H2,1H3,(H,25,30);4,7,10,14-15H,5-6,8-9,11-12,21H2,1-3H3;2H,9H2,1H3,(H,12,13);1H.

What are the key properties of 7-amino-N-[2-[3-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;tert-butyl 3-[4-(2-aminoethyl)-2-chlorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[2-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]ethyl]-2-chlorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;hydrochloride?

7-amino-N-[2-[3-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;tert-butyl 3-[4-(2-aminoethyl)-2-chlorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[2-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]ethyl]-2-chlorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;hydrochloride has a molecular weight of 1625.72 g/mol, XLogP of 13.08, 14 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-N-[2-[3-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;tert-butyl 3-[4-(2-aminoethyl)-2-chlorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[2-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]ethyl]-2-chlorophenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;hydrochloride is sourced from PubChem (CID 160564229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).