7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;8-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;7-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

C102H89BrCl2N40O10 — CID 158550052

About 7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;8-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;7-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;8-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;7-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 158550052) has the molecular formula C102H89BrCl2N40O10 and a molecular weight of 2185.91 g/mol. Its IUPAC name is 7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;8-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;7-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

• Compound Name: 7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;8-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;7-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
• PubChem CID: 158550052
• Molecular Formula: C102H89BrCl2N40O10
• Molecular Weight: 2185.91 g/mol
• Exact Mass: 2182.62
• IUPAC Name: 7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;8-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;7-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
• SMILES: Cn1ccc(-c2cnn3c(N)cc(N4CCC5(C4)NC(=O)NC5=O)nc23)c1.Nc1c(Br)c(N2CCC3(C2)NC(=O)NC3=O)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Cl)c(N2CCC3(C2)NC(=O)NC3=O)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Cl)c(N2CCC3(CC2)NC(=O)NC3=O)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(N2CCC3(C2)NC(=O)NC3=O)nc2c(-c3cnc4ccccc4c3)cnn12
• InChI: InChI=1S/C22H19ClN8O2.C21H17BrN8O2.C21H17ClN8O2.C21H18N8O2.C17H18N8O2/c23-16-17(24)31-18(14(11-26-31)13-9-12-3-1-2-4-15(12)25-10-13)27-19(16)30-7-5-22(6-8-30)20(32)28-21(33)29-22;2*22-15-16(23)30-17(13(9-25-30)12-7-11-3-1-2-4-14(11)24-8-12)26-18(15)29-6-5-21(10-29)19(31)27-20(32)28-21;22-16-8-17(28-6-5-21(11-28)19(30)26-20(31)27-21)25-18-14(10-24-29(16)18)13-7-12-3-1-2-4-15(12)23-9-13;1-23-4-2-10(8-23)11-7-19-25-12(18)6-13(20-14(11)25)24-5-3-17(9-24)15(26)21-16(27)22-17/h1-4,9-11H,5-8,24H2,(H2,28,29,32,33);2*1-4,7-9H,5-6,10,23H2,(H2,27,28,31,32);1-4,7-10H,5-6,11,22H2,(H2,26,27,30,31);2,4,6-8H,3,5,9,18H2,1H3,(H2,21,22,26,27)
• InChIKey: HPPHWNPRGYEBFM-UHFFFAOYSA-N
• XLogP: 7.82
• TPSA: 644.74 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 40
• Rotatable Bonds: 10
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2185.91
LogP ≤ 5	7.82
H-Bond Donors ≤ 5	15
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 7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;8-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;7-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?

The IUPAC name of 7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;8-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;7-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 158550052) is 7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;8-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;7-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

What is the SMILES notation for 7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;8-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;7-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?

The canonical SMILES for 7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;8-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;7-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is Cn1ccc(-c2cnn3c(N)cc(N4CCC5(C4)NC(=O)NC5=O)nc23)c1.Nc1c(Br)c(N2CCC3(C2)NC(=O)NC3=O)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Cl)c(N2CCC3(C2)NC(=O)NC3=O)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Cl)c(N2CCC3(CC2)NC(=O)NC3=O)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(N2CCC3(C2)NC(=O)NC3=O)nc2c(-c3cnc4ccccc4c3)cnn12.

What is the InChIKey of 7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;8-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;7-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?

The InChIKey is HPPHWNPRGYEBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN8O2.C21H17BrN8O2.C21H17ClN8O2.C21H18N8O2.C17H18N8O2/c23-16-17(24)31-18(14(11-26-31)13-9-12-3-1-2-4-15(12)25-10-13)27-19(16)30-7-5-22(6-8-30)20(32)28-21(33)29-22;2*22-15-16(23)30-17(13(9-25-30)12-7-11-3-1-2-4-14(11)24-8-12)26-18(15)29-6-5-21(10-29)19(31)27-20(32)28-21;22-16-8-17(28-6-5-21(11-28)19(30)26-20(31)27-21)25-18-14(10-24-29(16)18)13-7-12-3-1-2-4-15(12)23-9-13;1-23-4-2-10(8-23)11-7-19-25-12(18)6-13(20-14(11)25)24-5-3-17(9-24)15(26)21-16(27)22-17/h1-4,9-11H,5-8,24H2,(H2,28,29,32,33);2*1-4,7-9H,5-6,10,23H2,(H2,27,28,31,32);1-4,7-10H,5-6,11,22H2,(H2,26,27,30,31);2,4,6-8H,3,5,9,18H2,1H3,(H2,21,22,26,27).

What are the key properties of 7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;8-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;7-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?

7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;8-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;7-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 2185.91 g/mol, XLogP of 7.82, 10 rotatable bonds, 15 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;8-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;7-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 158550052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).