3-ethyl-1-phenyl-6-(4-pyridin-4-ylpiperazin-1-yl)indazole

C24H25N5 — CID 56673687

IUPAC3-ethyl-1-phenyl-6-(4-pyridin-4-ylpiperazin-1-yl)indazole
SMILESCCc1nn(-c2ccccc2)c2cc(N3CCN(c4ccncc4)CC3)ccc12
InChIInChI=1S/C24H25N5/c1-2-23-22-9-8-21(18-24(22)29(26-23)20-6-4-3-5-7-20)28-16-14-27(15-17-28)19-10-12-25-13-11-19/h3-13,18H,2,14-17H2,1H3
InChIKeyXLKKASACQYNDAV-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.31
Rot. Bonds4

About 3-ethyl-1-phenyl-6-(4-pyridin-4-ylpiperazin-1-yl)indazole

3-ethyl-1-phenyl-6-(4-pyridin-4-ylpiperazin-1-yl)indazole (PubChem CID 56673687) has the molecular formula C24H25N5 and a molecular weight of 383.50 g/mol. Its IUPAC name is 3-ethyl-1-phenyl-6-(4-pyridin-4-ylpiperazin-1-yl)indazole.

Molecular Properties

Compound Name3-ethyl-1-phenyl-6-(4-pyridin-4-ylpiperazin-1-yl)indazole
PubChem CID56673687
Molecular FormulaC24H25N5
Molecular Weight383.50 g/mol
Exact Mass383.21
IUPAC Name3-ethyl-1-phenyl-6-(4-pyridin-4-ylpiperazin-1-yl)indazole
SMILESCCc1nn(-c2ccccc2)c2cc(N3CCN(c4ccncc4)CC3)ccc12
InChIInChI=1S/C24H25N5/c1-2-23-22-9-8-21(18-24(22)29(26-23)20-6-4-3-5-7-20)28-16-14-27(15-17-28)19-10-12-25-13-11-19/h3-13,18H,2,14-17H2,1H3
InChIKeyXLKKASACQYNDAV-UHFFFAOYSA-N
XLogP4.31
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-phenyl-6-(4-pyridin-4-ylpiperazin-1-yl)indazole?
The IUPAC name of 3-ethyl-1-phenyl-6-(4-pyridin-4-ylpiperazin-1-yl)indazole (CID 56673687) is 3-ethyl-1-phenyl-6-(4-pyridin-4-ylpiperazin-1-yl)indazole.
What is the SMILES notation for 3-ethyl-1-phenyl-6-(4-pyridin-4-ylpiperazin-1-yl)indazole?
The canonical SMILES for 3-ethyl-1-phenyl-6-(4-pyridin-4-ylpiperazin-1-yl)indazole is CCc1nn(-c2ccccc2)c2cc(N3CCN(c4ccncc4)CC3)ccc12.
What is the InChIKey of 3-ethyl-1-phenyl-6-(4-pyridin-4-ylpiperazin-1-yl)indazole?
The InChIKey is XLKKASACQYNDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5/c1-2-23-22-9-8-21(18-24(22)29(26-23)20-6-4-3-5-7-20)28-16-14-27(15-17-28)19-10-12-25-13-11-19/h3-13,18H,2,14-17H2,1H3.
What are the key properties of 3-ethyl-1-phenyl-6-(4-pyridin-4-ylpiperazin-1-yl)indazole?
3-ethyl-1-phenyl-6-(4-pyridin-4-ylpiperazin-1-yl)indazole has a molecular weight of 383.50 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-phenyl-6-(4-pyridin-4-ylpiperazin-1-yl)indazole is sourced from PubChem (CID 56673687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).