(6S,8aS)-6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;(6S,8aR)-6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;1-[4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperazin-1-yl]ethanone;6-bromo-5-(piperazin-1-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C107H95Br5N36O7 — CID 157152531

About (6S,8aS)-6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;(6S,8aR)-6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;1-[4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperazin-1-yl]ethanone;6-bromo-5-(piperazin-1-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

(6S,8aS)-6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;(6S,8aR)-6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;1-[4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperazin-1-yl]ethanone;6-bromo-5-(piperazin-1-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 157152531) has the molecular formula C107H95Br5N36O7 and a molecular weight of 2396.70 g/mol. Its IUPAC name is (6S,8aS)-6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;(6S,8aR)-6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;1-[4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperazin-1-yl]ethanone;6-bromo-5-(piperazin-1-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: (6S,8aS)-6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;(6S,8aR)-6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;1-[4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperazin-1-yl]ethanone;6-bromo-5-(piperazin-1-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 157152531
• Molecular Formula: C107H95Br5N36O7
• Molecular Weight: 2396.70 g/mol
• Exact Mass: 2390.41
• IUPAC Name: (6S,8aS)-6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;(6S,8aR)-6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;1-[4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperazin-1-yl]ethanone;6-bromo-5-(piperazin-1-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: CC(=O)N1CCN(Cc2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.Nc1c(Br)c(CN2CCNCC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(N2CCN3C(=O)NC(=O)C3C2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c([C@H]2CC[C@@H]3C(=O)NC(=O)N3C2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c([C@H]2CC[C@H]3C(=O)NC(=O)N3C2)nc2c(-c3cnc4ccccc4c3)cnn12
• InChI: InChI=1S/2C22H18BrN7O2.C22H22BrN7O.C21H17BrN8O2.C20H20BrN7/c2*23-17-18(12-5-6-16-21(31)28-22(32)29(16)10-12)27-20-14(9-26-30(20)19(17)24)13-7-11-3-1-2-4-15(11)25-8-13;1-14(31)29-8-6-28(7-9-29)13-19-20(23)21(24)30-22(27-19)17(12-26-30)16-10-15-4-2-3-5-18(15)25-11-16;22-16-17(23)30-18(13(9-25-30)12-7-11-3-1-2-4-14(11)24-8-12)26-19(16)28-5-6-29-15(10-28)20(31)27-21(29)32;21-18-17(12-27-7-5-23-6-8-27)26-20-15(11-25-28(20)19(18)22)14-9-13-3-1-2-4-16(13)24-10-14/h2*1-4,7-9,12,16H,5-6,10,24H2,(H,28,31,32);2-5,10-12H,6-9,13,24H2,1H3;1-4,7-9,15H,5-6,10,23H2,(H,27,31,32);1-4,9-11,23H,5-8,12,22H2/t12-,16+;12-,16-;;;/m00.../s1
• InChIKey: ALKOTQMAPCMGBN-ZRMYQGOQSA-N
• XLogP: 13.85
• TPSA: 535.79 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 36
• Rotatable Bonds: 12
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2396.70
LogP ≤ 5	13.85
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6S,8aS)-6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;(6S,8aR)-6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;1-[4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperazin-1-yl]ethanone;6-bromo-5-(piperazin-1-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of (6S,8aS)-6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;(6S,8aR)-6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;1-[4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperazin-1-yl]ethanone;6-bromo-5-(piperazin-1-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 157152531) is (6S,8aS)-6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;(6S,8aR)-6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;1-[4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperazin-1-yl]ethanone;6-bromo-5-(piperazin-1-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for (6S,8aS)-6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;(6S,8aR)-6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;1-[4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperazin-1-yl]ethanone;6-bromo-5-(piperazin-1-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for (6S,8aS)-6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;(6S,8aR)-6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;1-[4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperazin-1-yl]ethanone;6-bromo-5-(piperazin-1-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is CC(=O)N1CCN(Cc2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.Nc1c(Br)c(CN2CCNCC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(N2CCN3C(=O)NC(=O)C3C2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c([C@H]2CC[C@@H]3C(=O)NC(=O)N3C2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c([C@H]2CC[C@H]3C(=O)NC(=O)N3C2)nc2c(-c3cnc4ccccc4c3)cnn12.

What is the InChIKey of (6S,8aS)-6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;(6S,8aR)-6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;1-[4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperazin-1-yl]ethanone;6-bromo-5-(piperazin-1-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is ALKOTQMAPCMGBN-ZRMYQGOQSA-N. The full InChI is InChI=1S/2C22H18BrN7O2.C22H22BrN7O.C21H17BrN8O2.C20H20BrN7/c2*23-17-18(12-5-6-16-21(31)28-22(32)29(16)10-12)27-20-14(9-26-30(20)19(17)24)13-7-11-3-1-2-4-15(11)25-8-13;1-14(31)29-8-6-28(7-9-29)13-19-20(23)21(24)30-22(27-19)17(12-26-30)16-10-15-4-2-3-5-18(15)25-11-16;22-16-17(23)30-18(13(9-25-30)12-7-11-3-1-2-4-14(11)24-8-12)26-19(16)28-5-6-29-15(10-28)20(31)27-21(29)32;21-18-17(12-27-7-5-23-6-8-27)26-20-15(11-25-28(20)19(18)22)14-9-13-3-1-2-4-16(13)24-10-14/h2*1-4,7-9,12,16H,5-6,10,24H2,(H,28,31,32);2-5,10-12H,6-9,13,24H2,1H3;1-4,7-9,15H,5-6,10,23H2,(H,27,31,32);1-4,9-11,23H,5-8,12,22H2/t12-,16+;12-,16-;;;/m00.../s1.

What are the key properties of (6S,8aS)-6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;(6S,8aR)-6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;1-[4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperazin-1-yl]ethanone;6-bromo-5-(piperazin-1-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

(6S,8aS)-6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;(6S,8aR)-6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;1-[4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperazin-1-yl]ethanone;6-bromo-5-(piperazin-1-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2396.70 g/mol, XLogP of 13.85, 12 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for (6S,8aS)-6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;(6S,8aR)-6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;1-[4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperazin-1-yl]ethanone;6-bromo-5-(piperazin-1-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 157152531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).