4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,5,7-triazaspiro[3.4]octane-6,8-dione;1-[7-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine

C89H83Br3N26O9S2 — CID 158452233

About 4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,5,7-triazaspiro[3.4]octane-6,8-dione;1-[7-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine

4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,5,7-triazaspiro[3.4]octane-6,8-dione;1-[7-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158452233) has the molecular formula C89H83Br3N26O9S2 and a molecular weight of 1964.66 g/mol. Its IUPAC name is 4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,5,7-triazaspiro[3.4]octane-6,8-dione;1-[7-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,5,7-triazaspiro[3.4]octane-6,8-dione;1-[7-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 158452233
• Molecular Formula: C89H83Br3N26O9S2
• Molecular Weight: 1964.66 g/mol
• Exact Mass: 1960.38
• IUPAC Name: 4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,5,7-triazaspiro[3.4]octane-6,8-dione;1-[7-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: CC(=O)c1c(N2CCS(=O)(=O)CC2)nc2c(-c3ccn(-c4ccccc4)c3)cnn2c1N.CCS(=O)(=O)N1CCC(c2nc3c(-c4ccc(-c5cccnc5)nc4)cnn3c(N)c2Br)CC1.Nc1c(Br)c(C2CCC(C(=O)O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(N2CC3(C2)NC(=O)NC3=O)nc2c(-c3cnc4ccccc4c3)cnn12
• InChI: InChI=1S/C24H22BrN5O2.C23H24BrN7O2S.C22H22N6O3S.C20H15BrN8O2/c25-20-21(15-6-8-16(9-7-15)24(31)32)29-23-18(13-28-30(23)22(20)26)17-10-11-19(27-12-17)14-4-2-1-3-5-14;1-2-34(32,33)30-10-7-15(8-11-30)21-20(24)22(25)31-23(29-21)18(14-28-31)16-5-6-19(27-13-16)17-4-3-9-26-12-17;1-15(29)19-20(23)28-21(25-22(19)26-9-11-32(30,31)12-10-26)18(13-24-28)16-7-8-27(14-16)17-5-3-2-4-6-17;21-14-15(22)29-16(25-17(14)28-8-20(9-28)18(30)26-19(31)27-20)12(7-24-29)11-5-10-3-1-2-4-13(10)23-6-11/h1-5,10-13,15-16H,6-9,26H2,(H,31,32);3-6,9,12-15H,2,7-8,10-11,25H2,1H3;2-8,13-14H,9-12,23H2,1H3;1-7H,8-9,22H2,(H2,26,27,30,31)
• InChIKey: HEDGOWGBKYUARO-UHFFFAOYSA-N
• XLogP: 12.78
• TPSA: 471.90 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 15
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1964.66
LogP ≤ 5	12.78
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,5,7-triazaspiro[3.4]octane-6,8-dione;1-[7-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,5,7-triazaspiro[3.4]octane-6,8-dione;1-[7-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 158452233) is 4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,5,7-triazaspiro[3.4]octane-6,8-dione;1-[7-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,5,7-triazaspiro[3.4]octane-6,8-dione;1-[7-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,5,7-triazaspiro[3.4]octane-6,8-dione;1-[7-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine is CC(=O)c1c(N2CCS(=O)(=O)CC2)nc2c(-c3ccn(-c4ccccc4)c3)cnn2c1N.CCS(=O)(=O)N1CCC(c2nc3c(-c4ccc(-c5cccnc5)nc4)cnn3c(N)c2Br)CC1.Nc1c(Br)c(C2CCC(C(=O)O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(N2CC3(C2)NC(=O)NC3=O)nc2c(-c3cnc4ccccc4c3)cnn12.

What is the InChIKey of 4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,5,7-triazaspiro[3.4]octane-6,8-dione;1-[7-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is HEDGOWGBKYUARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrN5O2.C23H24BrN7O2S.C22H22N6O3S.C20H15BrN8O2/c25-20-21(15-6-8-16(9-7-15)24(31)32)29-23-18(13-28-30(23)22(20)26)17-10-11-19(27-12-17)14-4-2-1-3-5-14;1-2-34(32,33)30-10-7-15(8-11-30)21-20(24)22(25)31-23(29-21)18(14-28-31)16-5-6-19(27-13-16)17-4-3-9-26-12-17;1-15(29)19-20(23)28-21(25-22(19)26-9-11-32(30,31)12-10-26)18(13-24-28)16-7-8-27(14-16)17-5-3-2-4-6-17;21-14-15(22)29-16(25-17(14)28-8-20(9-28)18(30)26-19(31)27-20)12(7-24-29)11-5-10-3-1-2-4-13(10)23-6-11/h1-5,10-13,15-16H,6-9,26H2,(H,31,32);3-6,9,12-15H,2,7-8,10-11,25H2,1H3;2-8,13-14H,9-12,23H2,1H3;1-7H,8-9,22H2,(H2,26,27,30,31).

What are the key properties of 4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,5,7-triazaspiro[3.4]octane-6,8-dione;1-[7-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine?

4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,5,7-triazaspiro[3.4]octane-6,8-dione;1-[7-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1964.66 g/mol, XLogP of 12.78, 15 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,5,7-triazaspiro[3.4]octane-6,8-dione;1-[7-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158452233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).