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

C17H14FN3O2 — CID 19625322

IUPAC2-[3-cyclopropyl-4-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid
SMILESO=C(O)Cn1nc(C2CC2)c2c(-c3ccc(F)cc3)ccnc21
InChIInChI=1S/C17H14FN3O2/c18-12-5-3-10(4-6-12)13-7-8-19-17-15(13)16(11-1-2-11)20-21(17)9-14(22)23/h3-8,11H,1-2,9H2,(H,22,23)
InChIKeyRXOFCKLUEPDJMK-UHFFFAOYSA-N
MW311.32 g/mol
LogP3.20
Rot. Bonds4

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

2-[3-cyclopropyl-4-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid (PubChem CID 19625322) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is 2-[3-cyclopropyl-4-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-cyclopropyl-4-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid
PubChem CID19625322
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Name2-[3-cyclopropyl-4-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid
SMILESO=C(O)Cn1nc(C2CC2)c2c(-c3ccc(F)cc3)ccnc21
InChIInChI=1S/C17H14FN3O2/c18-12-5-3-10(4-6-12)13-7-8-19-17-15(13)16(11-1-2-11)20-21(17)9-14(22)23/h3-8,11H,1-2,9H2,(H,22,23)
InChIKeyRXOFCKLUEPDJMK-UHFFFAOYSA-N
XLogP3.20
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclopropyl-4-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid?
The IUPAC name of 2-[3-cyclopropyl-4-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid (CID 19625322) is 2-[3-cyclopropyl-4-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-cyclopropyl-4-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid?
The canonical SMILES for 2-[3-cyclopropyl-4-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid is O=C(O)Cn1nc(C2CC2)c2c(-c3ccc(F)cc3)ccnc21.
What is the InChIKey of 2-[3-cyclopropyl-4-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid?
The InChIKey is RXOFCKLUEPDJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c18-12-5-3-10(4-6-12)13-7-8-19-17-15(13)16(11-1-2-11)20-21(17)9-14(22)23/h3-8,11H,1-2,9H2,(H,22,23).
What are the key properties of 2-[3-cyclopropyl-4-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid?
2-[3-cyclopropyl-4-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid has a molecular weight of 311.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclopropyl-4-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid is sourced from PubChem (CID 19625322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).