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

C24H31N5 — CID 56683648

IUPAC3-ethyl-1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole
SMILESCCc1nn(-c2ccccc2)c2cc(N3CCN(C4CCNCC4)CC3)ccc12
InChIInChI=1S/C24H31N5/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/h3-9,18-19,25H,2,10-17H2,1H3
InChIKeyRUYVRSXFFQDHTI-UHFFFAOYSA-N
MW389.55 g/mol
LogP3.46
Rot. Bonds4

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

3-ethyl-1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole (PubChem CID 56683648) has the molecular formula C24H31N5 and a molecular weight of 389.55 g/mol. Its IUPAC name is 3-ethyl-1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole.

Molecular Properties

Compound Name3-ethyl-1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole
PubChem CID56683648
Molecular FormulaC24H31N5
Molecular Weight389.55 g/mol
Exact Mass389.26
IUPAC Name3-ethyl-1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole
SMILESCCc1nn(-c2ccccc2)c2cc(N3CCN(C4CCNCC4)CC3)ccc12
InChIInChI=1S/C24H31N5/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/h3-9,18-19,25H,2,10-17H2,1H3
InChIKeyRUYVRSXFFQDHTI-UHFFFAOYSA-N
XLogP3.46
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.55
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole?
The IUPAC name of 3-ethyl-1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole (CID 56683648) is 3-ethyl-1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole.
What is the SMILES notation for 3-ethyl-1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole?
The canonical SMILES for 3-ethyl-1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole is CCc1nn(-c2ccccc2)c2cc(N3CCN(C4CCNCC4)CC3)ccc12.
What is the InChIKey of 3-ethyl-1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole?
The InChIKey is RUYVRSXFFQDHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5/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/h3-9,18-19,25H,2,10-17H2,1H3.
What are the key properties of 3-ethyl-1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole?
3-ethyl-1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole has a molecular weight of 389.55 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole is sourced from PubChem (CID 56683648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).