3-methyl-1-phenyl-6-(4-piperazin-1-ylpiperidin-1-yl)indazole

C23H29N5 — CID 56680333

IUPAC3-methyl-1-phenyl-6-(4-piperazin-1-ylpiperidin-1-yl)indazole
SMILESCc1nn(-c2ccccc2)c2cc(N3CCC(N4CCNCC4)CC3)ccc12
InChIInChI=1S/C23H29N5/c1-18-22-8-7-21(17-23(22)28(25-18)20-5-3-2-4-6-20)26-13-9-19(10-14-26)27-15-11-24-12-16-27/h2-8,17,19,24H,9-16H2,1H3
InChIKeyLFFBXLJPLWVFOQ-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.21
Rot. Bonds3

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

3-methyl-1-phenyl-6-(4-piperazin-1-ylpiperidin-1-yl)indazole (PubChem CID 56680333) has the molecular formula C23H29N5 and a molecular weight of 375.52 g/mol. Its IUPAC name is 3-methyl-1-phenyl-6-(4-piperazin-1-ylpiperidin-1-yl)indazole.

Molecular Properties

Compound Name3-methyl-1-phenyl-6-(4-piperazin-1-ylpiperidin-1-yl)indazole
PubChem CID56680333
Molecular FormulaC23H29N5
Molecular Weight375.52 g/mol
Exact Mass375.24
IUPAC Name3-methyl-1-phenyl-6-(4-piperazin-1-ylpiperidin-1-yl)indazole
SMILESCc1nn(-c2ccccc2)c2cc(N3CCC(N4CCNCC4)CC3)ccc12
InChIInChI=1S/C23H29N5/c1-18-22-8-7-21(17-23(22)28(25-18)20-5-3-2-4-6-20)26-13-9-19(10-14-26)27-15-11-24-12-16-27/h2-8,17,19,24H,9-16H2,1H3
InChIKeyLFFBXLJPLWVFOQ-UHFFFAOYSA-N
XLogP3.21
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-6-(4-piperazin-1-ylpiperidin-1-yl)indazole?
The IUPAC name of 3-methyl-1-phenyl-6-(4-piperazin-1-ylpiperidin-1-yl)indazole (CID 56680333) is 3-methyl-1-phenyl-6-(4-piperazin-1-ylpiperidin-1-yl)indazole.
What is the SMILES notation for 3-methyl-1-phenyl-6-(4-piperazin-1-ylpiperidin-1-yl)indazole?
The canonical SMILES for 3-methyl-1-phenyl-6-(4-piperazin-1-ylpiperidin-1-yl)indazole is Cc1nn(-c2ccccc2)c2cc(N3CCC(N4CCNCC4)CC3)ccc12.
What is the InChIKey of 3-methyl-1-phenyl-6-(4-piperazin-1-ylpiperidin-1-yl)indazole?
The InChIKey is LFFBXLJPLWVFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5/c1-18-22-8-7-21(17-23(22)28(25-18)20-5-3-2-4-6-20)26-13-9-19(10-14-26)27-15-11-24-12-16-27/h2-8,17,19,24H,9-16H2,1H3.
What are the key properties of 3-methyl-1-phenyl-6-(4-piperazin-1-ylpiperidin-1-yl)indazole?
3-methyl-1-phenyl-6-(4-piperazin-1-ylpiperidin-1-yl)indazole has a molecular weight of 375.52 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-6-(4-piperazin-1-ylpiperidin-1-yl)indazole is sourced from PubChem (CID 56680333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).