1-(4-fluorophenyl)-5-methoxy-3-piperazin-1-ylindazole

C18H19FN4O — CID 19887048

IUPAC1-(4-fluorophenyl)-5-methoxy-3-piperazin-1-ylindazole
SMILESCOc1ccc2c(c1)c(N1CCNCC1)nn2-c1ccc(F)cc1
InChIInChI=1S/C18H19FN4O/c1-24-15-6-7-17-16(12-15)18(22-10-8-20-9-11-22)21-23(17)14-4-2-13(19)3-5-14/h2-7,12,20H,8-11H2,1H3
InChIKeyCGTGZMBLCAZUCK-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.58
Rot. Bonds3

About 1-(4-fluorophenyl)-5-methoxy-3-piperazin-1-ylindazole

1-(4-fluorophenyl)-5-methoxy-3-piperazin-1-ylindazole (PubChem CID 19887048) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methoxy-3-piperazin-1-ylindazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methoxy-3-piperazin-1-ylindazole
PubChem CID19887048
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name1-(4-fluorophenyl)-5-methoxy-3-piperazin-1-ylindazole
SMILESCOc1ccc2c(c1)c(N1CCNCC1)nn2-c1ccc(F)cc1
InChIInChI=1S/C18H19FN4O/c1-24-15-6-7-17-16(12-15)18(22-10-8-20-9-11-22)21-23(17)14-4-2-13(19)3-5-14/h2-7,12,20H,8-11H2,1H3
InChIKeyCGTGZMBLCAZUCK-UHFFFAOYSA-N
XLogP2.58
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methoxy-3-piperazin-1-ylindazole?
The IUPAC name of 1-(4-fluorophenyl)-5-methoxy-3-piperazin-1-ylindazole (CID 19887048) is 1-(4-fluorophenyl)-5-methoxy-3-piperazin-1-ylindazole.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methoxy-3-piperazin-1-ylindazole?
The canonical SMILES for 1-(4-fluorophenyl)-5-methoxy-3-piperazin-1-ylindazole is COc1ccc2c(c1)c(N1CCNCC1)nn2-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-methoxy-3-piperazin-1-ylindazole?
The InChIKey is CGTGZMBLCAZUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-24-15-6-7-17-16(12-15)18(22-10-8-20-9-11-22)21-23(17)14-4-2-13(19)3-5-14/h2-7,12,20H,8-11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-5-methoxy-3-piperazin-1-ylindazole?
1-(4-fluorophenyl)-5-methoxy-3-piperazin-1-ylindazole has a molecular weight of 326.38 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methoxy-3-piperazin-1-ylindazole is sourced from PubChem (CID 19887048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).