4-[6-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyridazin-3-yl]-2,3-dihydro-1H-indole

C22H24N6 — CID 71126124

IUPAC4-[6-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyridazin-3-yl]-2,3-dihydro-1H-indole
SMILESCN1CCN(c2cc(-c3ccncc3)c(-c3cccc4c3CCN4)nn2)CC1
InChIInChI=1S/C22H24N6/c1-27-11-13-28(14-12-27)21-15-19(16-5-8-23-9-6-16)22(26-25-21)18-3-2-4-20-17(18)7-10-24-20/h2-6,8-9,15,24H,7,10-14H2,1H3
InChIKeyPQWLSMSBVMGCFY-UHFFFAOYSA-N
MW372.48 g/mol
LogP2.93
Rot. Bonds3

About 4-[6-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyridazin-3-yl]-2,3-dihydro-1H-indole

4-[6-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyridazin-3-yl]-2,3-dihydro-1H-indole (PubChem CID 71126124) has the molecular formula C22H24N6 and a molecular weight of 372.48 g/mol. Its IUPAC name is 4-[6-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyridazin-3-yl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name4-[6-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyridazin-3-yl]-2,3-dihydro-1H-indole
PubChem CID71126124
Molecular FormulaC22H24N6
Molecular Weight372.48 g/mol
Exact Mass372.21
IUPAC Name4-[6-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyridazin-3-yl]-2,3-dihydro-1H-indole
SMILESCN1CCN(c2cc(-c3ccncc3)c(-c3cccc4c3CCN4)nn2)CC1
InChIInChI=1S/C22H24N6/c1-27-11-13-28(14-12-27)21-15-19(16-5-8-23-9-6-16)22(26-25-21)18-3-2-4-20-17(18)7-10-24-20/h2-6,8-9,15,24H,7,10-14H2,1H3
InChIKeyPQWLSMSBVMGCFY-UHFFFAOYSA-N
XLogP2.93
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[6-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyridazin-3-yl]-2,3-dihydro-1H-indole 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 4-[6-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyridazin-3-yl]-2,3-dihydro-1H-indole?
The IUPAC name of 4-[6-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyridazin-3-yl]-2,3-dihydro-1H-indole (CID 71126124) is 4-[6-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyridazin-3-yl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 4-[6-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyridazin-3-yl]-2,3-dihydro-1H-indole?
The canonical SMILES for 4-[6-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyridazin-3-yl]-2,3-dihydro-1H-indole is CN1CCN(c2cc(-c3ccncc3)c(-c3cccc4c3CCN4)nn2)CC1.
What is the InChIKey of 4-[6-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyridazin-3-yl]-2,3-dihydro-1H-indole?
The InChIKey is PQWLSMSBVMGCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6/c1-27-11-13-28(14-12-27)21-15-19(16-5-8-23-9-6-16)22(26-25-21)18-3-2-4-20-17(18)7-10-24-20/h2-6,8-9,15,24H,7,10-14H2,1H3.
What are the key properties of 4-[6-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyridazin-3-yl]-2,3-dihydro-1H-indole?
4-[6-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyridazin-3-yl]-2,3-dihydro-1H-indole has a molecular weight of 372.48 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyridazin-3-yl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 71126124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).