3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoic acid

C23H17FN4O3 — CID 52916889

IUPAC3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoic acid
SMILESO=C(O)c1cccc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C23H17FN4O3/c24-16-4-6-17(7-5-16)28-20-13-25-11-19(18(20)12-26-28)21(29)27-23(8-9-23)15-3-1-2-14(10-15)22(30)31/h1-7,10-13H,8-9H2,(H,27,29)(H,30,31)
InChIKeyZYGWIOMAVGEFNH-UHFFFAOYSA-N
MW416.41 g/mol
LogP3.68
Rot. Bonds5

About 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoic acid

3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoic acid (PubChem CID 52916889) has the molecular formula C23H17FN4O3 and a molecular weight of 416.41 g/mol. Its IUPAC name is 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoic acid.

Molecular Properties

Compound Name3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoic acid
PubChem CID52916889
Molecular FormulaC23H17FN4O3
Molecular Weight416.41 g/mol
Exact Mass416.13
IUPAC Name3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoic acid
SMILESO=C(O)c1cccc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C23H17FN4O3/c24-16-4-6-17(7-5-16)28-20-13-25-11-19(18(20)12-26-28)21(29)27-23(8-9-23)15-3-1-2-14(10-15)22(30)31/h1-7,10-13H,8-9H2,(H,27,29)(H,30,31)
InChIKeyZYGWIOMAVGEFNH-UHFFFAOYSA-N
XLogP3.68
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.41
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoic acid?
The IUPAC name of 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoic acid (CID 52916889) is 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoic acid.
What is the SMILES notation for 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoic acid?
The canonical SMILES for 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoic acid is O=C(O)c1cccc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoic acid?
The InChIKey is ZYGWIOMAVGEFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O3/c24-16-4-6-17(7-5-16)28-20-13-25-11-19(18(20)12-26-28)21(29)27-23(8-9-23)15-3-1-2-14(10-15)22(30)31/h1-7,10-13H,8-9H2,(H,27,29)(H,30,31).
What are the key properties of 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoic acid?
3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoic acid has a molecular weight of 416.41 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoic acid is sourced from PubChem (CID 52916889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).