4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid

C92H64Br4N24O8 — CID 159056290

IUPAC4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid
SMILESNc1c(Br)c(-c2ccc(C(=O)O)cc2)nc2c(-c3ccc(-c4cccnc4)nc3)cnn12.Nc1c(Br)c(-c2ccc(C(=O)O)cc2)nc2c(-c3cnn(-c4ccccc4)c3)cnn12.Nc1c(Br)c(-c2ccc(CC(=O)O)cc2)nc2c(-c3ccc(-c4cccnc4)nc3)cnn12.Nc1c(Br)c(-c2ccc(CC(=O)O)cc2)nc2c(-c3cnn(-c4ccccc4)c3)cnn12
InChIInChI=1S/C24H17BrN6O2.C23H15BrN6O2.C23H17BrN6O2.C22H15BrN6O2/c25-21-22(15-5-3-14(4-6-15)10-20(32)33)30-24-18(13-29-31(24)23(21)26)16-7-8-19(28-12-16)17-2-1-9-27-11-17;24-19-20(13-3-5-14(6-4-13)23(31)32)29-22-17(12-28-30(22)21(19)25)15-7-8-18(27-11-15)16-2-1-9-26-10-16;24-20-21(15-8-6-14(7-9-15)10-19(31)32)28-23-18(12-27-30(23)22(20)25)16-11-26-29(13-16)17-4-2-1-3-5-17;23-18-19(13-6-8-14(9-7-13)22(30)31)27-21-17(11-26-29(21)20(18)24)15-10-25-28(12-15)16-4-2-1-3-5-16/h1-9,11-13H,10,26H2,(H,32,33);1-12H,25H2,(H,31,32);1-9,11-13H,10,25H2,(H,31,32);1-12H,24H2,(H,30,31)
InChIKeyJXWZZPGOFSSHTO-UHFFFAOYSA-N
MW1953.30 g/mol
LogP17.57
Rot. Bonds18

About 4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid

4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid (PubChem CID 159056290) has the molecular formula C92H64Br4N24O8 and a molecular weight of 1953.30 g/mol. Its IUPAC name is 4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid.

Molecular Properties

Compound Name4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid
PubChem CID159056290
Molecular FormulaC92H64Br4N24O8
Molecular Weight1953.30 g/mol
Exact Mass1948.21
IUPAC Name4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid
SMILESNc1c(Br)c(-c2ccc(C(=O)O)cc2)nc2c(-c3ccc(-c4cccnc4)nc3)cnn12.Nc1c(Br)c(-c2ccc(C(=O)O)cc2)nc2c(-c3cnn(-c4ccccc4)c3)cnn12.Nc1c(Br)c(-c2ccc(CC(=O)O)cc2)nc2c(-c3ccc(-c4cccnc4)nc3)cnn12.Nc1c(Br)c(-c2ccc(CC(=O)O)cc2)nc2c(-c3cnn(-c4ccccc4)c3)cnn12
InChIInChI=1S/C24H17BrN6O2.C23H15BrN6O2.C23H17BrN6O2.C22H15BrN6O2/c25-21-22(15-5-3-14(4-6-15)10-20(32)33)30-24-18(13-29-31(24)23(21)26)16-7-8-19(28-12-16)17-2-1-9-27-11-17;24-19-20(13-3-5-14(6-4-13)23(31)32)29-22-17(12-28-30(22)21(19)25)15-7-8-18(27-11-15)16-2-1-9-26-10-16;24-20-21(15-8-6-14(7-9-15)10-19(31)32)28-23-18(12-27-30(23)22(20)25)16-11-26-29(13-16)17-4-2-1-3-5-17;23-18-19(13-6-8-14(9-7-13)22(30)31)27-21-17(11-26-29(21)20(18)24)15-10-25-28(12-15)16-4-2-1-3-5-16/h1-9,11-13H,10,26H2,(H,32,33);1-12H,25H2,(H,31,32);1-9,11-13H,10,25H2,(H,31,32);1-12H,24H2,(H,30,31)
InChIKeyJXWZZPGOFSSHTO-UHFFFAOYSA-N
XLogP17.57
TPSA461.24 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds18
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001953.30
LogP ≤ 517.57
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Analyze 4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid with MolForge

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Related Compounds

4-bromobenzoic acid;4-bromo-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;tert-butyl (3R)-3-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[4-amino-3-[4-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidine-1-carboxylate;4-methylpyridin-2-amine;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 157486854
bis(4-(bromomethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-amine;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide
CID 159960290
4-[7-Amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid
CID 46946544
4-[7-Amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid
CID 46946746
4-[7-Amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-methylbenzoic acid
CID 66739678
4-(7-Amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzoic acid
CID 70217125
4-[7-Amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid
CID 70217625
4-[6-Bromo-7-(methylamino)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid
CID 90727803
4-[6-Bromo-7-methyl-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid
CID 91245425
4-(7-Amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzoic acid;ethane
CID 144072122
(1-Bromoimidazo[1,5-a]pyridin-3-yl)-(2-methylphenyl)methanone;imidazo[1,5-a]pyridine;imidazo[1,5-a]pyrimidin-6-yl-(2-methylphenyl)methanone;4-[3-(2-methylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid;methyl 4-[3-(2-methylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoate
CID 157107320
2-(4-Bromo-2-fluorophenyl)-7-(2-methylprop-1-enyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;2-(4-bromo-2-fluorophenyl)-7-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;2-(4-bromo-2-fluorophenyl)-7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 157122652

Frequently Asked Questions

What is the IUPAC name of 4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid?
The IUPAC name of 4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid (CID 159056290) is 4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid.
What is the SMILES notation for 4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid?
The canonical SMILES for 4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid is Nc1c(Br)c(-c2ccc(C(=O)O)cc2)nc2c(-c3ccc(-c4cccnc4)nc3)cnn12.Nc1c(Br)c(-c2ccc(C(=O)O)cc2)nc2c(-c3cnn(-c4ccccc4)c3)cnn12.Nc1c(Br)c(-c2ccc(CC(=O)O)cc2)nc2c(-c3ccc(-c4cccnc4)nc3)cnn12.Nc1c(Br)c(-c2ccc(CC(=O)O)cc2)nc2c(-c3cnn(-c4ccccc4)c3)cnn12.
What is the InChIKey of 4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid?
The InChIKey is JXWZZPGOFSSHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrN6O2.C23H15BrN6O2.C23H17BrN6O2.C22H15BrN6O2/c25-21-22(15-5-3-14(4-6-15)10-20(32)33)30-24-18(13-29-31(24)23(21)26)16-7-8-19(28-12-16)17-2-1-9-27-11-17;24-19-20(13-3-5-14(6-4-13)23(31)32)29-22-17(12-28-30(22)21(19)25)15-7-8-18(27-11-15)16-2-1-9-26-10-16;24-20-21(15-8-6-14(7-9-15)10-19(31)32)28-23-18(12-27-30(23)22(20)25)16-11-26-29(13-16)17-4-2-1-3-5-17;23-18-19(13-6-8-14(9-7-13)22(30)31)27-21-17(11-26-29(21)20(18)24)15-10-25-28(12-15)16-4-2-1-3-5-16/h1-9,11-13H,10,26H2,(H,32,33);1-12H,25H2,(H,31,32);1-9,11-13H,10,25H2,(H,31,32);1-12H,24H2,(H,30,31).
What are the key properties of 4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid?
4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid has a molecular weight of 1953.30 g/mol, XLogP of 17.57, 18 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid is sourced from PubChem (CID 159056290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).