5-[6-bromo-7-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid

C24H16BrN5O2 — CID 91011303

IUPAC5-[6-bromo-7-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid
SMILESCc1c(Br)c(-c2ccc(C(=O)O)nc2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12
InChIInChI=1S/C24H16BrN5O2/c1-14-21(25)22(17-8-10-20(24(31)32)27-12-17)29-23-18(13-28-30(14)23)16-7-9-19(26-11-16)15-5-3-2-4-6-15/h2-13H,1H3,(H,31,32)
InChIKeyMWUPXVSNYIAXEI-UHFFFAOYSA-N
MW486.33 g/mol
LogP5.29
Rot. Bonds4

About 5-[6-bromo-7-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid

5-[6-bromo-7-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid (PubChem CID 91011303) has the molecular formula C24H16BrN5O2 and a molecular weight of 486.33 g/mol. Its IUPAC name is 5-[6-bromo-7-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[6-bromo-7-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid
PubChem CID91011303
Molecular FormulaC24H16BrN5O2
Molecular Weight486.33 g/mol
Exact Mass485.05
IUPAC Name5-[6-bromo-7-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid
SMILESCc1c(Br)c(-c2ccc(C(=O)O)nc2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12
InChIInChI=1S/C24H16BrN5O2/c1-14-21(25)22(17-8-10-20(24(31)32)27-12-17)29-23-18(13-28-30(14)23)16-7-9-19(26-11-16)15-5-3-2-4-6-15/h2-13H,1H3,(H,31,32)
InChIKeyMWUPXVSNYIAXEI-UHFFFAOYSA-N
XLogP5.29
TPSA93.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.33
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-phenyl-1-[(pyridin-4-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 7064016
6-(4-Benzoylphenyl)-1-(Pyridin-4-Ylmethyl)-1h-Pyrazolo[3,4-B]pyridine-4-Carboxylic Acid
CID 60196213
6-[(6-Bromo-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151285
6-phenyl-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 2535053
6-(3-Bromophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 2123111
Ethyl 3-methyl-6-phenyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 5114916
6-(pyridin-3-yl)-1-[(pyridin-4-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 16367113
6-(3-Hydroxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600112
6-[4-(Hydroxymethyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600114
6-(3-Chlorophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600116
6-(4-Chlorophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600117
6-(4-Bromophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600248

Frequently Asked Questions

What is the IUPAC name of 5-[6-bromo-7-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[6-bromo-7-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid (CID 91011303) is 5-[6-bromo-7-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[6-bromo-7-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[6-bromo-7-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid is Cc1c(Br)c(-c2ccc(C(=O)O)nc2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.
What is the InChIKey of 5-[6-bromo-7-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid?
The InChIKey is MWUPXVSNYIAXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BrN5O2/c1-14-21(25)22(17-8-10-20(24(31)32)27-12-17)29-23-18(13-28-30(14)23)16-7-9-19(26-11-16)15-5-3-2-4-6-15/h2-13H,1H3,(H,31,32).
What are the key properties of 5-[6-bromo-7-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid?
5-[6-bromo-7-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid has a molecular weight of 486.33 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-bromo-7-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 91011303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).