2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]acetic acid

C22H23ClFN3O3 — CID 25161092

IUPAC2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]acetic acid
SMILESCN1CCC(COC(C(=O)O)c2cc(Cl)cc3cn[nH]c23)(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H23ClFN3O3/c1-27-8-6-22(7-9-27,15-2-4-17(24)5-3-15)13-30-20(21(28)29)18-11-16(23)10-14-12-25-26-19(14)18/h2-5,10-12,20H,6-9,13H2,1H3,(H,25,26)(H,28,29)
InChIKeyCPSFPNYHXURFNI-UHFFFAOYSA-N
MW431.90 g/mol
LogP4.16
Rot. Bonds6

About 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]acetic acid

2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]acetic acid (PubChem CID 25161092) has the molecular formula C22H23ClFN3O3 and a molecular weight of 431.90 g/mol. Its IUPAC name is 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]acetic acid
PubChem CID25161092
Molecular FormulaC22H23ClFN3O3
Molecular Weight431.90 g/mol
Exact Mass431.14
IUPAC Name2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]acetic acid
SMILESCN1CCC(COC(C(=O)O)c2cc(Cl)cc3cn[nH]c23)(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H23ClFN3O3/c1-27-8-6-22(7-9-27,15-2-4-17(24)5-3-15)13-30-20(21(28)29)18-11-16(23)10-14-12-25-26-19(14)18/h2-5,10-12,20H,6-9,13H2,1H3,(H,25,26)(H,28,29)
InChIKeyCPSFPNYHXURFNI-UHFFFAOYSA-N
XLogP4.16
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.90
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]acetic acid 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 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]acetic acid?
The IUPAC name of 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]acetic acid (CID 25161092) is 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]acetic acid.
What is the SMILES notation for 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]acetic acid?
The canonical SMILES for 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]acetic acid is CN1CCC(COC(C(=O)O)c2cc(Cl)cc3cn[nH]c23)(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]acetic acid?
The InChIKey is CPSFPNYHXURFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN3O3/c1-27-8-6-22(7-9-27,15-2-4-17(24)5-3-15)13-30-20(21(28)29)18-11-16(23)10-14-12-25-26-19(14)18/h2-5,10-12,20H,6-9,13H2,1H3,(H,25,26)(H,28,29).
What are the key properties of 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]acetic acid?
2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]acetic acid has a molecular weight of 431.90 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]acetic acid is sourced from PubChem (CID 25161092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).