4-[1-[(2-bromo-3-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid

C20H12BrF2N3O2 — CID 73297114

IUPAC4-[1-[(2-bromo-3-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(-c2nn(Cc3cccc(F)c3Br)c3cccnc23)c(F)c1
InChIInChI=1S/C20H12BrF2N3O2/c21-17-12(3-1-4-14(17)22)10-26-16-5-2-8-24-19(16)18(25-26)13-7-6-11(20(27)28)9-15(13)23/h1-9H,10H2,(H,27,28)
InChIKeyXPMNNYBIPJCYPI-UHFFFAOYSA-N
MW444.24 g/mol
LogP4.89
Rot. Bonds4

About 4-[1-[(2-bromo-3-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid

4-[1-[(2-bromo-3-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid (PubChem CID 73297114) has the molecular formula C20H12BrF2N3O2 and a molecular weight of 444.24 g/mol. Its IUPAC name is 4-[1-[(2-bromo-3-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-[1-[(2-bromo-3-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid
PubChem CID73297114
Molecular FormulaC20H12BrF2N3O2
Molecular Weight444.24 g/mol
Exact Mass443.01
IUPAC Name4-[1-[(2-bromo-3-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(-c2nn(Cc3cccc(F)c3Br)c3cccnc23)c(F)c1
InChIInChI=1S/C20H12BrF2N3O2/c21-17-12(3-1-4-14(17)22)10-26-16-5-2-8-24-19(16)18(25-26)13-7-6-11(20(27)28)9-15(13)23/h1-9H,10H2,(H,27,28)
InChIKeyXPMNNYBIPJCYPI-UHFFFAOYSA-N
XLogP4.89
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.24
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[1-[(2-bromo-3-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic 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 4-[1-[(2-bromo-3-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid?
The IUPAC name of 4-[1-[(2-bromo-3-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid (CID 73297114) is 4-[1-[(2-bromo-3-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid.
What is the SMILES notation for 4-[1-[(2-bromo-3-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid?
The canonical SMILES for 4-[1-[(2-bromo-3-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid is O=C(O)c1ccc(-c2nn(Cc3cccc(F)c3Br)c3cccnc23)c(F)c1.
What is the InChIKey of 4-[1-[(2-bromo-3-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid?
The InChIKey is XPMNNYBIPJCYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12BrF2N3O2/c21-17-12(3-1-4-14(17)22)10-26-16-5-2-8-24-19(16)18(25-26)13-7-6-11(20(27)28)9-15(13)23/h1-9H,10H2,(H,27,28).
What are the key properties of 4-[1-[(2-bromo-3-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid?
4-[1-[(2-bromo-3-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid has a molecular weight of 444.24 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-bromo-3-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid is sourced from PubChem (CID 73297114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).