4-[[1-(5-chloro-1H-indazol-7-yl)-2-methoxyethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylic acid

C23H25ClFN3O4 — CID 67404446

IUPAC4-[[1-(5-chloro-1H-indazol-7-yl)-2-methoxyethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylic acid
SMILESCOCC(OCC1(c2ccc(F)cc2)CCN(C(=O)O)CC1)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C23H25ClFN3O4/c1-31-13-20(19-11-17(24)10-15-12-26-27-21(15)19)32-14-23(16-2-4-18(25)5-3-16)6-8-28(9-7-23)22(29)30/h2-5,10-12,20H,6-9,13-14H2,1H3,(H,26,27)(H,29,30)
InChIKeyDVCKKFSVDGOWNO-UHFFFAOYSA-N
MW461.92 g/mol
LogP4.77
Rot. Bonds7

About 4-[[1-(5-chloro-1H-indazol-7-yl)-2-methoxyethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylic acid

4-[[1-(5-chloro-1H-indazol-7-yl)-2-methoxyethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylic acid (PubChem CID 67404446) has the molecular formula C23H25ClFN3O4 and a molecular weight of 461.92 g/mol. Its IUPAC name is 4-[[1-(5-chloro-1H-indazol-7-yl)-2-methoxyethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(5-chloro-1H-indazol-7-yl)-2-methoxyethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylic acid
PubChem CID67404446
Molecular FormulaC23H25ClFN3O4
Molecular Weight461.92 g/mol
Exact Mass461.15
IUPAC Name4-[[1-(5-chloro-1H-indazol-7-yl)-2-methoxyethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylic acid
SMILESCOCC(OCC1(c2ccc(F)cc2)CCN(C(=O)O)CC1)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C23H25ClFN3O4/c1-31-13-20(19-11-17(24)10-15-12-26-27-21(15)19)32-14-23(16-2-4-18(25)5-3-16)6-8-28(9-7-23)22(29)30/h2-5,10-12,20H,6-9,13-14H2,1H3,(H,26,27)(H,29,30)
InChIKeyDVCKKFSVDGOWNO-UHFFFAOYSA-N
XLogP4.77
TPSA87.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.92
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(5-chloro-1H-indazol-7-yl)-2-methoxyethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-[[1-(5-chloro-1H-indazol-7-yl)-2-methoxyethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylic acid (CID 67404446) is 4-[[1-(5-chloro-1H-indazol-7-yl)-2-methoxyethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[1-(5-chloro-1H-indazol-7-yl)-2-methoxyethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[1-(5-chloro-1H-indazol-7-yl)-2-methoxyethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylic acid is COCC(OCC1(c2ccc(F)cc2)CCN(C(=O)O)CC1)c1cc(Cl)cc2cn[nH]c12.
What is the InChIKey of 4-[[1-(5-chloro-1H-indazol-7-yl)-2-methoxyethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylic acid?
The InChIKey is DVCKKFSVDGOWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFN3O4/c1-31-13-20(19-11-17(24)10-15-12-26-27-21(15)19)32-14-23(16-2-4-18(25)5-3-16)6-8-28(9-7-23)22(29)30/h2-5,10-12,20H,6-9,13-14H2,1H3,(H,26,27)(H,29,30).
What are the key properties of 4-[[1-(5-chloro-1H-indazol-7-yl)-2-methoxyethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylic acid?
4-[[1-(5-chloro-1H-indazol-7-yl)-2-methoxyethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylic acid has a molecular weight of 461.92 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(5-chloro-1H-indazol-7-yl)-2-methoxyethoxy]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 67404446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).