1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4,5,6,7-tetrahydroindazole

C19H28N6 — CID 14726862

IUPAC1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4,5,6,7-tetrahydroindazole
SMILESc1cnc(N2CCN(CCCCn3ncc4c3CCCC4)CC2)nc1
InChIInChI=1S/C19H28N6/c1-2-7-18-17(6-1)16-22-25(18)11-4-3-10-23-12-14-24(15-13-23)19-20-8-5-9-21-19/h5,8-9,16H,1-4,6-7,10-15H2
InChIKeyZMJQNHJCOQSDSC-UHFFFAOYSA-N
MW340.48 g/mol
LogP2.15
Rot. Bonds6

About 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4,5,6,7-tetrahydroindazole

1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4,5,6,7-tetrahydroindazole (PubChem CID 14726862) has the molecular formula C19H28N6 and a molecular weight of 340.48 g/mol. Its IUPAC name is 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4,5,6,7-tetrahydroindazole
PubChem CID14726862
Molecular FormulaC19H28N6
Molecular Weight340.48 g/mol
Exact Mass340.24
IUPAC Name1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4,5,6,7-tetrahydroindazole
SMILESc1cnc(N2CCN(CCCCn3ncc4c3CCCC4)CC2)nc1
InChIInChI=1S/C19H28N6/c1-2-7-18-17(6-1)16-22-25(18)11-4-3-10-23-12-14-24(15-13-23)19-20-8-5-9-21-19/h5,8-9,16H,1-4,6-7,10-15H2
InChIKeyZMJQNHJCOQSDSC-UHFFFAOYSA-N
XLogP2.15
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4,5,6,7-tetrahydroindazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4,5,6,7-tetrahydroindazole?
The IUPAC name of 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4,5,6,7-tetrahydroindazole (CID 14726862) is 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4,5,6,7-tetrahydroindazole is c1cnc(N2CCN(CCCCn3ncc4c3CCCC4)CC2)nc1.
What is the InChIKey of 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4,5,6,7-tetrahydroindazole?
The InChIKey is ZMJQNHJCOQSDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6/c1-2-7-18-17(6-1)16-22-25(18)11-4-3-10-23-12-14-24(15-13-23)19-20-8-5-9-21-19/h5,8-9,16H,1-4,6-7,10-15H2.
What are the key properties of 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4,5,6,7-tetrahydroindazole?
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4,5,6,7-tetrahydroindazole has a molecular weight of 340.48 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 14726862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).