2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetic acid

C15H12FN3O2 — CID 19625302

IUPAC2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetic acid
SMILESCc1nn(CC(=O)O)c2nccc(-c3ccc(F)cc3)c12
InChIInChI=1S/C15H12FN3O2/c1-9-14-12(10-2-4-11(16)5-3-10)6-7-17-15(14)19(18-9)8-13(20)21/h2-7H,8H2,1H3,(H,20,21)
InChIKeyFTMYLQKWGKDTBG-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.63
Rot. Bonds3

About 2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetic acid

2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetic acid (PubChem CID 19625302) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetic acid
PubChem CID19625302
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetic acid
SMILESCc1nn(CC(=O)O)c2nccc(-c3ccc(F)cc3)c12
InChIInChI=1S/C15H12FN3O2/c1-9-14-12(10-2-4-11(16)5-3-10)6-7-17-15(14)19(18-9)8-13(20)21/h2-7H,8H2,1H3,(H,20,21)
InChIKeyFTMYLQKWGKDTBG-UHFFFAOYSA-N
XLogP2.63
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetic acid?
The IUPAC name of 2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetic acid (CID 19625302) is 2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetic acid is Cc1nn(CC(=O)O)c2nccc(-c3ccc(F)cc3)c12.
What is the InChIKey of 2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetic acid?
The InChIKey is FTMYLQKWGKDTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c1-9-14-12(10-2-4-11(16)5-3-10)6-7-17-15(14)19(18-9)8-13(20)21/h2-7H,8H2,1H3,(H,20,21).
What are the key properties of 2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetic acid?
2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetic acid has a molecular weight of 285.28 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetic acid is sourced from PubChem (CID 19625302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).