3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-6-fluoro-2H-indazole

C18H18ClFN4 — CID 18663224

IUPAC3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-6-fluoro-2H-indazole
SMILESFc1ccc2c(CN3CCN(c4ccc(Cl)cc4)CC3)[nH]nc2c1
InChIInChI=1S/C18H18ClFN4/c19-13-1-4-15(5-2-13)24-9-7-23(8-10-24)12-18-16-6-3-14(20)11-17(16)21-22-18/h1-6,11H,7-10,12H2,(H,21,22)
InChIKeyGOUPDWCQACHZHY-UHFFFAOYSA-N
MW344.82 g/mol
LogP3.68
Rot. Bonds3

About 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-6-fluoro-2H-indazole

3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-6-fluoro-2H-indazole (PubChem CID 18663224) has the molecular formula C18H18ClFN4 and a molecular weight of 344.82 g/mol. Its IUPAC name is 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-6-fluoro-2H-indazole.

Molecular Properties

Compound Name3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-6-fluoro-2H-indazole
PubChem CID18663224
Molecular FormulaC18H18ClFN4
Molecular Weight344.82 g/mol
Exact Mass344.12
IUPAC Name3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-6-fluoro-2H-indazole
SMILESFc1ccc2c(CN3CCN(c4ccc(Cl)cc4)CC3)[nH]nc2c1
InChIInChI=1S/C18H18ClFN4/c19-13-1-4-15(5-2-13)24-9-7-23(8-10-24)12-18-16-6-3-14(20)11-17(16)21-22-18/h1-6,11H,7-10,12H2,(H,21,22)
InChIKeyGOUPDWCQACHZHY-UHFFFAOYSA-N
XLogP3.68
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-6-fluoro-2H-indazole?
The IUPAC name of 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-6-fluoro-2H-indazole (CID 18663224) is 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-6-fluoro-2H-indazole.
What is the SMILES notation for 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-6-fluoro-2H-indazole?
The canonical SMILES for 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-6-fluoro-2H-indazole is Fc1ccc2c(CN3CCN(c4ccc(Cl)cc4)CC3)[nH]nc2c1.
What is the InChIKey of 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-6-fluoro-2H-indazole?
The InChIKey is GOUPDWCQACHZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN4/c19-13-1-4-15(5-2-13)24-9-7-23(8-10-24)12-18-16-6-3-14(20)11-17(16)21-22-18/h1-6,11H,7-10,12H2,(H,21,22).
What are the key properties of 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-6-fluoro-2H-indazole?
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-6-fluoro-2H-indazole has a molecular weight of 344.82 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-6-fluoro-2H-indazole is sourced from PubChem (CID 18663224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).