3-methoxy-1-phenyl-6-(4-piperazin-1-ylphenyl)indazole

C24H24N4O — CID 58483620

IUPAC3-methoxy-1-phenyl-6-(4-piperazin-1-ylphenyl)indazole
SMILESCOc1nn(-c2ccccc2)c2cc(-c3ccc(N4CCNCC4)cc3)ccc12
InChIInChI=1S/C24H24N4O/c1-29-24-22-12-9-19(17-23(22)28(26-24)21-5-3-2-4-6-21)18-7-10-20(11-8-18)27-15-13-25-14-16-27/h2-12,17,25H,13-16H2,1H3
InChIKeyICLSTRFLCKHNME-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.11
Rot. Bonds4

About 3-methoxy-1-phenyl-6-(4-piperazin-1-ylphenyl)indazole

3-methoxy-1-phenyl-6-(4-piperazin-1-ylphenyl)indazole (PubChem CID 58483620) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-methoxy-1-phenyl-6-(4-piperazin-1-ylphenyl)indazole.

Molecular Properties

Compound Name3-methoxy-1-phenyl-6-(4-piperazin-1-ylphenyl)indazole
PubChem CID58483620
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name3-methoxy-1-phenyl-6-(4-piperazin-1-ylphenyl)indazole
SMILESCOc1nn(-c2ccccc2)c2cc(-c3ccc(N4CCNCC4)cc3)ccc12
InChIInChI=1S/C24H24N4O/c1-29-24-22-12-9-19(17-23(22)28(26-24)21-5-3-2-4-6-21)18-7-10-20(11-8-18)27-15-13-25-14-16-27/h2-12,17,25H,13-16H2,1H3
InChIKeyICLSTRFLCKHNME-UHFFFAOYSA-N
XLogP4.11
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-phenyl-6-(4-piperazin-1-ylphenyl)indazole?
The IUPAC name of 3-methoxy-1-phenyl-6-(4-piperazin-1-ylphenyl)indazole (CID 58483620) is 3-methoxy-1-phenyl-6-(4-piperazin-1-ylphenyl)indazole.
What is the SMILES notation for 3-methoxy-1-phenyl-6-(4-piperazin-1-ylphenyl)indazole?
The canonical SMILES for 3-methoxy-1-phenyl-6-(4-piperazin-1-ylphenyl)indazole is COc1nn(-c2ccccc2)c2cc(-c3ccc(N4CCNCC4)cc3)ccc12.
What is the InChIKey of 3-methoxy-1-phenyl-6-(4-piperazin-1-ylphenyl)indazole?
The InChIKey is ICLSTRFLCKHNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-29-24-22-12-9-19(17-23(22)28(26-24)21-5-3-2-4-6-21)18-7-10-20(11-8-18)27-15-13-25-14-16-27/h2-12,17,25H,13-16H2,1H3.
What are the key properties of 3-methoxy-1-phenyl-6-(4-piperazin-1-ylphenyl)indazole?
3-methoxy-1-phenyl-6-(4-piperazin-1-ylphenyl)indazole has a molecular weight of 384.48 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-phenyl-6-(4-piperazin-1-ylphenyl)indazole is sourced from PubChem (CID 58483620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).