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

C24H17BrN6O3 — CID 46946346

IUPAC2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetic acid
SMILESNc1c(Br)c(Oc2ccc(CC(=O)O)cc2)nc2c(-c3ccc(-c4cccnc4)nc3)cnn12
InChIInChI=1S/C24H17BrN6O3/c25-21-22(26)31-23(30-24(21)34-17-6-3-14(4-7-17)10-20(32)33)18(13-29-31)15-5-8-19(28-12-15)16-2-1-9-27-11-16/h1-9,11-13H,10,26H2,(H,32,33)
InChIKeyGVGIAQKTWYSIKM-UHFFFAOYSA-N
MW517.34 g/mol
LogP4.62
Rot. Bonds6

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

2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetic acid (PubChem CID 46946346) has the molecular formula C24H17BrN6O3 and a molecular weight of 517.34 g/mol. Its IUPAC name is 2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetic acid
PubChem CID46946346
Molecular FormulaC24H17BrN6O3
Molecular Weight517.34 g/mol
Exact Mass516.05
IUPAC Name2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetic acid
SMILESNc1c(Br)c(Oc2ccc(CC(=O)O)cc2)nc2c(-c3ccc(-c4cccnc4)nc3)cnn12
InChIInChI=1S/C24H17BrN6O3/c25-21-22(26)31-23(30-24(21)34-17-6-3-14(4-7-17)10-20(32)33)18(13-29-31)15-5-8-19(28-12-15)16-2-1-9-27-11-16/h1-9,11-13H,10,26H2,(H,32,33)
InChIKeyGVGIAQKTWYSIKM-UHFFFAOYSA-N
XLogP4.62
TPSA128.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.34
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetic acid?
The IUPAC name of 2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetic acid (CID 46946346) is 2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetic acid.
What is the SMILES notation for 2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetic acid?
The canonical SMILES for 2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetic acid is Nc1c(Br)c(Oc2ccc(CC(=O)O)cc2)nc2c(-c3ccc(-c4cccnc4)nc3)cnn12.
What is the InChIKey of 2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetic acid?
The InChIKey is GVGIAQKTWYSIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrN6O3/c25-21-22(26)31-23(30-24(21)34-17-6-3-14(4-7-17)10-20(32)33)18(13-29-31)15-5-8-19(28-12-15)16-2-1-9-27-11-16/h1-9,11-13H,10,26H2,(H,32,33).
What are the key properties of 2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetic acid?
2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetic acid has a molecular weight of 517.34 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxyphenyl]acetic acid is sourced from PubChem (CID 46946346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).