ethyl 1-[3-(4-fluorophenyl)-1H-indazole-5-carbonyl]piperidine-4-carboxylate

C22H22FN3O3 — CID 20789086

IUPACethyl 1-[3-(4-fluorophenyl)-1H-indazole-5-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)CC1
InChIInChI=1S/C22H22FN3O3/c1-2-29-22(28)15-9-11-26(12-10-15)21(27)16-5-8-19-18(13-16)20(25-24-19)14-3-6-17(23)7-4-14/h3-8,13,15H,2,9-12H2,1H3,(H,24,25)
InChIKeyPDVLJHHPZNDPJH-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.78
Rot. Bonds4

About ethyl 1-[3-(4-fluorophenyl)-1H-indazole-5-carbonyl]piperidine-4-carboxylate

ethyl 1-[3-(4-fluorophenyl)-1H-indazole-5-carbonyl]piperidine-4-carboxylate (PubChem CID 20789086) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is ethyl 1-[3-(4-fluorophenyl)-1H-indazole-5-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(4-fluorophenyl)-1H-indazole-5-carbonyl]piperidine-4-carboxylate
PubChem CID20789086
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Nameethyl 1-[3-(4-fluorophenyl)-1H-indazole-5-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)CC1
InChIInChI=1S/C22H22FN3O3/c1-2-29-22(28)15-9-11-26(12-10-15)21(27)16-5-8-19-18(13-16)20(25-24-19)14-3-6-17(23)7-4-14/h3-8,13,15H,2,9-12H2,1H3,(H,24,25)
InChIKeyPDVLJHHPZNDPJH-UHFFFAOYSA-N
XLogP3.78
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 1-[3-(4-fluorophenyl)-1H-indazole-5-carbonyl]piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(4-fluorophenyl)-1H-indazole-5-carbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-(4-fluorophenyl)-1H-indazole-5-carbonyl]piperidine-4-carboxylate (CID 20789086) is ethyl 1-[3-(4-fluorophenyl)-1H-indazole-5-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-(4-fluorophenyl)-1H-indazole-5-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-(4-fluorophenyl)-1H-indazole-5-carbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)CC1.
What is the InChIKey of ethyl 1-[3-(4-fluorophenyl)-1H-indazole-5-carbonyl]piperidine-4-carboxylate?
The InChIKey is PDVLJHHPZNDPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-2-29-22(28)15-9-11-26(12-10-15)21(27)16-5-8-19-18(13-16)20(25-24-19)14-3-6-17(23)7-4-14/h3-8,13,15H,2,9-12H2,1H3,(H,24,25).
What are the key properties of ethyl 1-[3-(4-fluorophenyl)-1H-indazole-5-carbonyl]piperidine-4-carboxylate?
ethyl 1-[3-(4-fluorophenyl)-1H-indazole-5-carbonyl]piperidine-4-carboxylate has a molecular weight of 395.43 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(4-fluorophenyl)-1H-indazole-5-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 20789086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).