5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]furan-2-carboxylic acid;2-[5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-pyridinyl]-2-methylpropanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1H-pyrrole-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid

C92H64Br4N22O9S — CID 158394409

IUPAC5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]furan-2-carboxylic acid;2-[5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-pyridinyl]-2-methylpropanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1H-pyrrole-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid
SMILESCC(C)(C(=O)O)c1ccc(-c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2Br)cn1.Nc1c(Br)c(-c2ccc(C(=O)O)[nH]2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(-c2ccc(C(=O)O)o2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(-c2ccc(C(=O)O)s2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12
InChIInChI=1S/C26H21BrN6O2.C22H15BrN6O2.C22H14BrN5O3.C22H14BrN5O2S/c1-26(2,25(34)35)20-11-9-17(13-30-20)22-21(27)23(28)33-24(32-22)18(14-31-33)16-8-10-19(29-12-16)15-6-4-3-5-7-15;23-18-19(16-8-9-17(27-16)22(30)31)28-21-14(11-26-29(21)20(18)24)13-6-7-15(25-10-13)12-4-2-1-3-5-12;2*23-18-19(16-8-9-17(31-16)22(29)30)27-21-14(11-26-28(21)20(18)24)13-6-7-15(25-10-13)12-4-2-1-3-5-12/h3-14H,28H2,1-2H3,(H,34,35);1-11,27H,24H2,(H,30,31);2*1-11H,24H2,(H,29,30)
InChIKeyGXJFOSLIBOHQAO-UHFFFAOYSA-N
MW1973.35 g/mol
LogP19.71
Rot. Bonds17

About 5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]furan-2-carboxylic acid;2-[5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-pyridinyl]-2-methylpropanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1H-pyrrole-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid

5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]furan-2-carboxylic acid;2-[5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-pyridinyl]-2-methylpropanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1H-pyrrole-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid (PubChem CID 158394409) has the molecular formula C92H64Br4N22O9S and a molecular weight of 1973.35 g/mol. Its IUPAC name is 5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]furan-2-carboxylic acid;2-[5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-pyridinyl]-2-methylpropanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1H-pyrrole-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]furan-2-carboxylic acid;2-[5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-pyridinyl]-2-methylpropanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1H-pyrrole-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid
PubChem CID158394409
Molecular FormulaC92H64Br4N22O9S
Molecular Weight1973.35 g/mol
Exact Mass1968.17
IUPAC Name5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]furan-2-carboxylic acid;2-[5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-pyridinyl]-2-methylpropanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1H-pyrrole-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid
SMILESCC(C)(C(=O)O)c1ccc(-c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2Br)cn1.Nc1c(Br)c(-c2ccc(C(=O)O)[nH]2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(-c2ccc(C(=O)O)o2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(-c2ccc(C(=O)O)s2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12
InChIInChI=1S/C26H21BrN6O2.C22H15BrN6O2.C22H14BrN5O3.C22H14BrN5O2S/c1-26(2,25(34)35)20-11-9-17(13-30-20)22-21(27)23(28)33-24(32-22)18(14-31-33)16-8-10-19(29-12-16)15-6-4-3-5-7-15;23-18-19(16-8-9-17(27-16)22(30)31)28-21-14(11-26-29(21)20(18)24)13-6-7-15(25-10-13)12-4-2-1-3-5-12;2*23-18-19(16-8-9-17(31-16)22(29)30)27-21-14(11-26-28(21)20(18)24)13-6-7-15(25-10-13)12-4-2-1-3-5-12/h3-14H,28H2,1-2H3,(H,34,35);1-11,27H,24H2,(H,30,31);2*1-11H,24H2,(H,29,30)
InChIKeyGXJFOSLIBOHQAO-UHFFFAOYSA-N
XLogP19.71
TPSA467.42 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds17
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001973.35
LogP ≤ 519.71
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

Analyze 5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]furan-2-carboxylic acid;2-[5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-pyridinyl]-2-methylpropanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1H-pyrrole-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

3-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrazol-1-yl]acetic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1H-pyrrole-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid
CID 158030503
5-[7-Amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]furan-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;6-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid;2-[5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-pyridinyl]-2-methylpropanoic acid
CID 160918104

Frequently Asked Questions

What is the IUPAC name of 5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]furan-2-carboxylic acid;2-[5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-pyridinyl]-2-methylpropanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1H-pyrrole-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]furan-2-carboxylic acid;2-[5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-pyridinyl]-2-methylpropanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1H-pyrrole-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid (CID 158394409) is 5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]furan-2-carboxylic acid;2-[5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-pyridinyl]-2-methylpropanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1H-pyrrole-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]furan-2-carboxylic acid;2-[5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-pyridinyl]-2-methylpropanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1H-pyrrole-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]furan-2-carboxylic acid;2-[5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-pyridinyl]-2-methylpropanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1H-pyrrole-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid is CC(C)(C(=O)O)c1ccc(-c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2Br)cn1.Nc1c(Br)c(-c2ccc(C(=O)O)[nH]2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(-c2ccc(C(=O)O)o2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(-c2ccc(C(=O)O)s2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.
What is the InChIKey of 5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]furan-2-carboxylic acid;2-[5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-pyridinyl]-2-methylpropanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1H-pyrrole-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid?
The InChIKey is GXJFOSLIBOHQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21BrN6O2.C22H15BrN6O2.C22H14BrN5O3.C22H14BrN5O2S/c1-26(2,25(34)35)20-11-9-17(13-30-20)22-21(27)23(28)33-24(32-22)18(14-31-33)16-8-10-19(29-12-16)15-6-4-3-5-7-15;23-18-19(16-8-9-17(27-16)22(30)31)28-21-14(11-26-29(21)20(18)24)13-6-7-15(25-10-13)12-4-2-1-3-5-12;2*23-18-19(16-8-9-17(31-16)22(29)30)27-21-14(11-26-28(21)20(18)24)13-6-7-15(25-10-13)12-4-2-1-3-5-12/h3-14H,28H2,1-2H3,(H,34,35);1-11,27H,24H2,(H,30,31);2*1-11H,24H2,(H,29,30).
What are the key properties of 5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]furan-2-carboxylic acid;2-[5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-pyridinyl]-2-methylpropanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1H-pyrrole-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid?
5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]furan-2-carboxylic acid;2-[5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-pyridinyl]-2-methylpropanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1H-pyrrole-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid has a molecular weight of 1973.35 g/mol, XLogP of 19.71, 17 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]furan-2-carboxylic acid;2-[5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-pyridinyl]-2-methylpropanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1H-pyrrole-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid is sourced from PubChem (CID 158394409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).