4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]piperidine-1-carboxylic acid

C22H20FN5O2 — CID 174599721

IUPAC4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccc3[nH]ncc3c2)CC1
InChIInChI=1S/C22H20FN5O2/c23-17-4-1-14(2-5-17)20-21(15-3-6-19-16(11-15)12-25-26-19)28(13-24-20)18-7-9-27(10-8-18)22(29)30/h1-6,11-13,18H,7-10H2,(H,25,26)(H,29,30)
InChIKeyXKWZWRRJRXOHOC-UHFFFAOYSA-N
MW405.43 g/mol
LogP4.55
Rot. Bonds3

About 4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]piperidine-1-carboxylic acid

4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]piperidine-1-carboxylic acid (PubChem CID 174599721) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]piperidine-1-carboxylic acid
PubChem CID174599721
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC Name4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccc3[nH]ncc3c2)CC1
InChIInChI=1S/C22H20FN5O2/c23-17-4-1-14(2-5-17)20-21(15-3-6-19-16(11-15)12-25-26-19)28(13-24-20)18-7-9-27(10-8-18)22(29)30/h1-6,11-13,18H,7-10H2,(H,25,26)(H,29,30)
InChIKeyXKWZWRRJRXOHOC-UHFFFAOYSA-N
XLogP4.55
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]piperidine-1-carboxylic acid (CID 174599721) is 4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]piperidine-1-carboxylic acid is O=C(O)N1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccc3[nH]ncc3c2)CC1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]piperidine-1-carboxylic acid?
The InChIKey is XKWZWRRJRXOHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c23-17-4-1-14(2-5-17)20-21(15-3-6-19-16(11-15)12-25-26-19)28(13-24-20)18-7-9-27(10-8-18)22(29)30/h1-6,11-13,18H,7-10H2,(H,25,26)(H,29,30).
What are the key properties of 4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]piperidine-1-carboxylic acid?
4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]piperidine-1-carboxylic acid has a molecular weight of 405.43 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 174599721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).