4-[1-(4-fluorophenyl)indazol-3-yl]piperazine-1-carboxylic acid

C18H17FN4O2 — CID 19887075

IUPAC4-[1-(4-fluorophenyl)indazol-3-yl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2nn(-c3ccc(F)cc3)c3ccccc23)CC1
InChIInChI=1S/C18H17FN4O2/c19-13-5-7-14(8-6-13)23-16-4-2-1-3-15(16)17(20-23)21-9-11-22(12-10-21)18(24)25/h1-8H,9-12H2,(H,24,25)
InChIKeyGBVCBGUZHPGTAB-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.96
Rot. Bonds2

About 4-[1-(4-fluorophenyl)indazol-3-yl]piperazine-1-carboxylic acid

4-[1-(4-fluorophenyl)indazol-3-yl]piperazine-1-carboxylic acid (PubChem CID 19887075) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)indazol-3-yl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)indazol-3-yl]piperazine-1-carboxylic acid
PubChem CID19887075
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name4-[1-(4-fluorophenyl)indazol-3-yl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2nn(-c3ccc(F)cc3)c3ccccc23)CC1
InChIInChI=1S/C18H17FN4O2/c19-13-5-7-14(8-6-13)23-16-4-2-1-3-15(16)17(20-23)21-9-11-22(12-10-21)18(24)25/h1-8H,9-12H2,(H,24,25)
InChIKeyGBVCBGUZHPGTAB-UHFFFAOYSA-N
XLogP2.96
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)indazol-3-yl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[1-(4-fluorophenyl)indazol-3-yl]piperazine-1-carboxylic acid (CID 19887075) is 4-[1-(4-fluorophenyl)indazol-3-yl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[1-(4-fluorophenyl)indazol-3-yl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[1-(4-fluorophenyl)indazol-3-yl]piperazine-1-carboxylic acid is O=C(O)N1CCN(c2nn(-c3ccc(F)cc3)c3ccccc23)CC1.
What is the InChIKey of 4-[1-(4-fluorophenyl)indazol-3-yl]piperazine-1-carboxylic acid?
The InChIKey is GBVCBGUZHPGTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c19-13-5-7-14(8-6-13)23-16-4-2-1-3-15(16)17(20-23)21-9-11-22(12-10-21)18(24)25/h1-8H,9-12H2,(H,24,25).
What are the key properties of 4-[1-(4-fluorophenyl)indazol-3-yl]piperazine-1-carboxylic acid?
4-[1-(4-fluorophenyl)indazol-3-yl]piperazine-1-carboxylic acid has a molecular weight of 340.36 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)indazol-3-yl]piperazine-1-carboxylic acid is sourced from PubChem (CID 19887075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).