3-methyl-1-phenyl-6-(4-piperazin-1-ylcyclohexyl)indazole

C24H30N4 — CID 86767128

IUPAC3-methyl-1-phenyl-6-(4-piperazin-1-ylcyclohexyl)indazole
SMILESCc1nn(-c2ccccc2)c2cc(C3CCC(N4CCNCC4)CC3)ccc12
InChIInChI=1S/C24H30N4/c1-18-23-12-9-20(17-24(23)28(26-18)22-5-3-2-4-6-22)19-7-10-21(11-8-19)27-15-13-25-14-16-27/h2-6,9,12,17,19,21,25H,7-8,10-11,13-16H2,1H3
InChIKeyDHZHLCGLWCKVLS-UHFFFAOYSA-N
MW374.53 g/mol
LogP4.27
Rot. Bonds3

About 3-methyl-1-phenyl-6-(4-piperazin-1-ylcyclohexyl)indazole

3-methyl-1-phenyl-6-(4-piperazin-1-ylcyclohexyl)indazole (PubChem CID 86767128) has the molecular formula C24H30N4 and a molecular weight of 374.53 g/mol. Its IUPAC name is 3-methyl-1-phenyl-6-(4-piperazin-1-ylcyclohexyl)indazole.

Molecular Properties

Compound Name3-methyl-1-phenyl-6-(4-piperazin-1-ylcyclohexyl)indazole
PubChem CID86767128
Molecular FormulaC24H30N4
Molecular Weight374.53 g/mol
Exact Mass374.25
IUPAC Name3-methyl-1-phenyl-6-(4-piperazin-1-ylcyclohexyl)indazole
SMILESCc1nn(-c2ccccc2)c2cc(C3CCC(N4CCNCC4)CC3)ccc12
InChIInChI=1S/C24H30N4/c1-18-23-12-9-20(17-24(23)28(26-18)22-5-3-2-4-6-22)19-7-10-21(11-8-19)27-15-13-25-14-16-27/h2-6,9,12,17,19,21,25H,7-8,10-11,13-16H2,1H3
InChIKeyDHZHLCGLWCKVLS-UHFFFAOYSA-N
XLogP4.27
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-6-(4-piperazin-1-ylcyclohexyl)indazole?
The IUPAC name of 3-methyl-1-phenyl-6-(4-piperazin-1-ylcyclohexyl)indazole (CID 86767128) is 3-methyl-1-phenyl-6-(4-piperazin-1-ylcyclohexyl)indazole.
What is the SMILES notation for 3-methyl-1-phenyl-6-(4-piperazin-1-ylcyclohexyl)indazole?
The canonical SMILES for 3-methyl-1-phenyl-6-(4-piperazin-1-ylcyclohexyl)indazole is Cc1nn(-c2ccccc2)c2cc(C3CCC(N4CCNCC4)CC3)ccc12.
What is the InChIKey of 3-methyl-1-phenyl-6-(4-piperazin-1-ylcyclohexyl)indazole?
The InChIKey is DHZHLCGLWCKVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4/c1-18-23-12-9-20(17-24(23)28(26-18)22-5-3-2-4-6-22)19-7-10-21(11-8-19)27-15-13-25-14-16-27/h2-6,9,12,17,19,21,25H,7-8,10-11,13-16H2,1H3.
What are the key properties of 3-methyl-1-phenyl-6-(4-piperazin-1-ylcyclohexyl)indazole?
3-methyl-1-phenyl-6-(4-piperazin-1-ylcyclohexyl)indazole has a molecular weight of 374.53 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-6-(4-piperazin-1-ylcyclohexyl)indazole is sourced from PubChem (CID 86767128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).