2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,4,9,9a-tetrahydro-1H-pyrazino[1,2-c]pyrimidine-6,8-dione;7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;7-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;2-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,4,9,9a-tetrahydro-1H-pyrazino[1,2-c]pyrimidine-6,8-dione;6-bromo-5-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C108H91Br3Cl2N40O8 — CID 158036165

About 2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,4,9,9a-tetrahydro-1H-pyrazino[1,2-c]pyrimidine-6,8-dione;7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;7-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;2-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,4,9,9a-tetrahydro-1H-pyrazino[1,2-c]pyrimidine-6,8-dione;6-bromo-5-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,4,9,9a-tetrahydro-1H-pyrazino[1,2-c]pyrimidine-6,8-dione;7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;7-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;2-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,4,9,9a-tetrahydro-1H-pyrazino[1,2-c]pyrimidine-6,8-dione;6-bromo-5-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158036165) has the molecular formula C108H91Br3Cl2N40O8 and a molecular weight of 2387.81 g/mol. Its IUPAC name is 2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,4,9,9a-tetrahydro-1H-pyrazino[1,2-c]pyrimidine-6,8-dione;7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;7-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;2-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,4,9,9a-tetrahydro-1H-pyrazino[1,2-c]pyrimidine-6,8-dione;6-bromo-5-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,4,9,9a-tetrahydro-1H-pyrazino[1,2-c]pyrimidine-6,8-dione;7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;7-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;2-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,4,9,9a-tetrahydro-1H-pyrazino[1,2-c]pyrimidine-6,8-dione;6-bromo-5-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 158036165
• Molecular Formula: C108H91Br3Cl2N40O8
• Molecular Weight: 2387.81 g/mol
• Exact Mass: 2382.49
• IUPAC Name: 2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,4,9,9a-tetrahydro-1H-pyrazino[1,2-c]pyrimidine-6,8-dione;7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;7-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;2-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,4,9,9a-tetrahydro-1H-pyrazino[1,2-c]pyrimidine-6,8-dione;6-bromo-5-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: CN1C(=O)C2CN(c3nc4c(-c5cnc6ccccc6c5)cnn4c(N)c3Br)CCN2C1=O.Cn1ncc2c1CN(c1nc3c(-c4cnc5ccccc5c4)cnn3c(N)c1Br)C2.Nc1c(Br)c(N2CCN3C(=O)NC(=O)CC3C2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Cl)c(N2CCN3C(=O)NC(=O)C3C2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Cl)c(N2CCN3C(=O)NC(=O)CC3C2)nc2c(-c3cnc4ccccc4c3)cnn12
• InChI: InChI=1S/2C22H19BrN8O2.C22H19ClN8O2.C21H17BrN8.C21H17ClN8O2/c1-28-21(32)16-11-29(6-7-30(16)22(28)33)20-17(23)18(24)31-19(27-20)14(10-26-31)13-8-12-4-2-3-5-15(12)25-9-13;2*23-18-19(24)31-20(15(10-26-31)13-7-12-3-1-2-4-16(12)25-9-13)28-21(18)29-5-6-30-14(11-29)8-17(32)27-22(30)33;1-28-17-11-29(10-14(17)8-25-28)21-18(22)19(23)30-20(27-21)15(9-26-30)13-6-12-4-2-3-5-16(12)24-7-13;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/h2-5,8-10,16H,6-7,11,24H2,1H3;2*1-4,7,9-10,14H,5-6,8,11,24H2,(H,27,32,33);2-9H,10-11,23H2,1H3;1-4,7-9,15H,5-6,10,23H2,(H,27,31,32)
• InChIKey: FHTPBFJSZIWXCX-UHFFFAOYSA-N
• XLogP: 12.57
• TPSA: 568.37 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 40
• Rotatable Bonds: 10
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2387.81
LogP ≤ 5	12.57
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,4,9,9a-tetrahydro-1H-pyrazino[1,2-c]pyrimidine-6,8-dione;7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;7-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;2-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,4,9,9a-tetrahydro-1H-pyrazino[1,2-c]pyrimidine-6,8-dione;6-bromo-5-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,4,9,9a-tetrahydro-1H-pyrazino[1,2-c]pyrimidine-6,8-dione;7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;7-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;2-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,4,9,9a-tetrahydro-1H-pyrazino[1,2-c]pyrimidine-6,8-dione;6-bromo-5-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 158036165) is 2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,4,9,9a-tetrahydro-1H-pyrazino[1,2-c]pyrimidine-6,8-dione;7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;7-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;2-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,4,9,9a-tetrahydro-1H-pyrazino[1,2-c]pyrimidine-6,8-dione;6-bromo-5-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,4,9,9a-tetrahydro-1H-pyrazino[1,2-c]pyrimidine-6,8-dione;7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;7-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;2-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,4,9,9a-tetrahydro-1H-pyrazino[1,2-c]pyrimidine-6,8-dione;6-bromo-5-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,4,9,9a-tetrahydro-1H-pyrazino[1,2-c]pyrimidine-6,8-dione;7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;7-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;2-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,4,9,9a-tetrahydro-1H-pyrazino[1,2-c]pyrimidine-6,8-dione;6-bromo-5-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is CN1C(=O)C2CN(c3nc4c(-c5cnc6ccccc6c5)cnn4c(N)c3Br)CCN2C1=O.Cn1ncc2c1CN(c1nc3c(-c4cnc5ccccc5c4)cnn3c(N)c1Br)C2.Nc1c(Br)c(N2CCN3C(=O)NC(=O)CC3C2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Cl)c(N2CCN3C(=O)NC(=O)C3C2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Cl)c(N2CCN3C(=O)NC(=O)CC3C2)nc2c(-c3cnc4ccccc4c3)cnn12.

What is the InChIKey of 2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,4,9,9a-tetrahydro-1H-pyrazino[1,2-c]pyrimidine-6,8-dione;7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;7-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;2-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,4,9,9a-tetrahydro-1H-pyrazino[1,2-c]pyrimidine-6,8-dione;6-bromo-5-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is FHTPBFJSZIWXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H19BrN8O2.C22H19ClN8O2.C21H17BrN8.C21H17ClN8O2/c1-28-21(32)16-11-29(6-7-30(16)22(28)33)20-17(23)18(24)31-19(27-20)14(10-26-31)13-8-12-4-2-3-5-15(12)25-9-13;2*23-18-19(24)31-20(15(10-26-31)13-7-12-3-1-2-4-16(12)25-9-13)28-21(18)29-5-6-30-14(11-29)8-17(32)27-22(30)33;1-28-17-11-29(10-14(17)8-25-28)21-18(22)19(23)30-20(27-21)15(9-26-30)13-6-12-4-2-3-5-16(12)24-7-13;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/h2-5,8-10,16H,6-7,11,24H2,1H3;2*1-4,7,9-10,14H,5-6,8,11,24H2,(H,27,32,33);2-9H,10-11,23H2,1H3;1-4,7-9,15H,5-6,10,23H2,(H,27,31,32).

What are the key properties of 2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,4,9,9a-tetrahydro-1H-pyrazino[1,2-c]pyrimidine-6,8-dione;7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;7-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;2-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,4,9,9a-tetrahydro-1H-pyrazino[1,2-c]pyrimidine-6,8-dione;6-bromo-5-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,4,9,9a-tetrahydro-1H-pyrazino[1,2-c]pyrimidine-6,8-dione;7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;7-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;2-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,4,9,9a-tetrahydro-1H-pyrazino[1,2-c]pyrimidine-6,8-dione;6-bromo-5-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2387.81 g/mol, XLogP of 12.57, 10 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,4,9,9a-tetrahydro-1H-pyrazino[1,2-c]pyrimidine-6,8-dione;7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;7-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;2-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,4,9,9a-tetrahydro-1H-pyrazino[1,2-c]pyrimidine-6,8-dione;6-bromo-5-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158036165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).