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

C22H27N5 — CID 123982141

IUPAC1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole
SMILESc1ccc(-n2ncc3ccc(N4CCN(C5CCNCC5)CC4)cc32)cc1
InChIInChI=1S/C22H27N5/c1-2-4-20(5-3-1)27-22-16-21(7-6-18(22)17-24-27)26-14-12-25(13-15-26)19-8-10-23-11-9-19/h1-7,16-17,19,23H,8-15H2
InChIKeyOSRARBLAGNGUKG-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.90
Rot. Bonds3

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

1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole (PubChem CID 123982141) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole.

Molecular Properties

Compound Name1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole
PubChem CID123982141
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC Name1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole
SMILESc1ccc(-n2ncc3ccc(N4CCN(C5CCNCC5)CC4)cc32)cc1
InChIInChI=1S/C22H27N5/c1-2-4-20(5-3-1)27-22-16-21(7-6-18(22)17-24-27)26-14-12-25(13-15-26)19-8-10-23-11-9-19/h1-7,16-17,19,23H,8-15H2
InChIKeyOSRARBLAGNGUKG-UHFFFAOYSA-N
XLogP2.90
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole?
The IUPAC name of 1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole (CID 123982141) is 1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole.
What is the SMILES notation for 1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole?
The canonical SMILES for 1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole is c1ccc(-n2ncc3ccc(N4CCN(C5CCNCC5)CC4)cc32)cc1.
What is the InChIKey of 1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole?
The InChIKey is OSRARBLAGNGUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5/c1-2-4-20(5-3-1)27-22-16-21(7-6-18(22)17-24-27)26-14-12-25(13-15-26)19-8-10-23-11-9-19/h1-7,16-17,19,23H,8-15H2.
What are the key properties of 1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole?
1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole has a molecular weight of 361.49 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole is sourced from PubChem (CID 123982141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).