7-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[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)methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;7-[(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;6-bromo-5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C100H94Br3N37O8 — CID 157106836

About 7-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[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)methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;7-[(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;6-bromo-5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

7-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[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)methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;7-[(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;6-bromo-5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 157106836) has the molecular formula C100H94Br3N37O8 and a molecular weight of 2181.81 g/mol. Its IUPAC name is 7-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[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)methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;7-[(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;6-bromo-5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 7-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[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)methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;7-[(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;6-bromo-5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 157106836
• Molecular Formula: C100H94Br3N37O8
• Molecular Weight: 2181.81 g/mol
• Exact Mass: 2177.56
• IUPAC Name: 7-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[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)methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;7-[(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;6-bromo-5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: Cn1cc(-c2cnn3c(N)c(Br)c(N4CCC5(C4)NC(=O)NC5=O)nc23)cn1.Nc1c(Br)c(CN2CCN3C(=O)NC(=O)C3C2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(CN2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(CN2CCN3C(=O)NC(=O)C3C2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(CN2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12
• InChI: InChI=1S/C22H19BrN8O2.C22H20N8O2.C20H19BrN6O.C20H20N6O.C16H16BrN9O2/c23-18-16(10-29-5-6-30-17(11-29)21(32)28-22(30)33)27-20-14(9-26-31(20)19(18)24)13-7-12-3-1-2-4-15(12)25-8-13;23-19-8-15(11-28-5-6-29-18(12-28)21(31)27-22(29)32)26-20-16(10-25-30(19)20)14-7-13-3-1-2-4-17(13)24-9-14;21-18-17(12-26-5-7-28-8-6-26)25-20-15(11-24-27(20)19(18)22)14-9-13-3-1-2-4-16(13)23-10-14;21-19-10-16(13-25-5-7-27-8-6-25)24-20-17(12-23-26(19)20)15-9-14-3-1-2-4-18(14)22-11-15;1-24-6-8(4-19-24)9-5-20-26-11(18)10(17)13(21-12(9)26)25-3-2-16(7-25)14(27)22-15(28)23-16/h1-4,7-9,17H,5-6,10-11,24H2,(H,28,32,33);1-4,7-10,18H,5-6,11-12,23H2,(H,27,31,32);1-4,9-11H,5-8,12,22H2;1-4,9-12H,5-8,13,21H2;4-6H,2-3,7,18H2,1H3,(H2,22,23,27,28)
• InChIKey: AGJYCPSMQYOAAM-UHFFFAOYSA-N
• XLogP: 9.03
• TPSA: 542.11 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 39
• Rotatable Bonds: 14
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2181.81
LogP ≤ 5	9.03
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	39

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-(1-methylpyrazol-4-yl)pyrazolo[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)methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;7-[(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;6-bromo-5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 7-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[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)methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;7-[(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;6-bromo-5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 157106836) is 7-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[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)methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;7-[(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;6-bromo-5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 7-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[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)methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;7-[(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;6-bromo-5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 7-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[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)methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;7-[(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;6-bromo-5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cn1cc(-c2cnn3c(N)c(Br)c(N4CCC5(C4)NC(=O)NC5=O)nc23)cn1.Nc1c(Br)c(CN2CCN3C(=O)NC(=O)C3C2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(CN2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(CN2CCN3C(=O)NC(=O)C3C2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(CN2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12.

What is the InChIKey of 7-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[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)methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;7-[(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;6-bromo-5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is AGJYCPSMQYOAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN8O2.C22H20N8O2.C20H19BrN6O.C20H20N6O.C16H16BrN9O2/c23-18-16(10-29-5-6-30-17(11-29)21(32)28-22(30)33)27-20-14(9-26-31(20)19(18)24)13-7-12-3-1-2-4-15(12)25-8-13;23-19-8-15(11-28-5-6-29-18(12-28)21(31)27-22(29)32)26-20-16(10-25-30(19)20)14-7-13-3-1-2-4-17(13)24-9-14;21-18-17(12-26-5-7-28-8-6-26)25-20-15(11-24-27(20)19(18)22)14-9-13-3-1-2-4-16(13)23-10-14;21-19-10-16(13-25-5-7-27-8-6-25)24-20-17(12-23-26(19)20)15-9-14-3-1-2-4-18(14)22-11-15;1-24-6-8(4-19-24)9-5-20-26-11(18)10(17)13(21-12(9)26)25-3-2-16(7-25)14(27)22-15(28)23-16/h1-4,7-9,17H,5-6,10-11,24H2,(H,28,32,33);1-4,7-10,18H,5-6,11-12,23H2,(H,27,31,32);1-4,9-11H,5-8,12,22H2;1-4,9-12H,5-8,13,21H2;4-6H,2-3,7,18H2,1H3,(H2,22,23,27,28).

What are the key properties of 7-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[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)methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;7-[(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;6-bromo-5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

7-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[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)methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;7-[(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;6-bromo-5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2181.81 g/mol, XLogP of 9.03, 14 rotatable bonds, 9 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[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)methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;7-[(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;6-bromo-5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 157106836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).