6-[3-(4-phenylpiperazin-1-yl)propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide

C24H33N7O2S — CID 58561315

IUPAC6-[3-(4-phenylpiperazin-1-yl)propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCCCN2CCN(c3ccccc3)CC2)nc1
InChIInChI=1S/C24H33N7O2S/c1-19-24(20(2)29(3)27-19)28-34(32,33)22-10-11-23(26-18-22)25-12-7-13-30-14-16-31(17-15-30)21-8-5-4-6-9-21/h4-6,8-11,18,28H,7,12-17H2,1-3H3,(H,25,26)
InChIKeyAGMLRAMZHALNJH-UHFFFAOYSA-N
MW483.64 g/mol
LogP2.86
Rot. Bonds9

About 6-[3-(4-phenylpiperazin-1-yl)propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide

6-[3-(4-phenylpiperazin-1-yl)propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (PubChem CID 58561315) has the molecular formula C24H33N7O2S and a molecular weight of 483.64 g/mol. Its IUPAC name is 6-[3-(4-phenylpiperazin-1-yl)propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[3-(4-phenylpiperazin-1-yl)propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
PubChem CID58561315
Molecular FormulaC24H33N7O2S
Molecular Weight483.64 g/mol
Exact Mass483.24
IUPAC Name6-[3-(4-phenylpiperazin-1-yl)propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCCCN2CCN(c3ccccc3)CC2)nc1
InChIInChI=1S/C24H33N7O2S/c1-19-24(20(2)29(3)27-19)28-34(32,33)22-10-11-23(26-18-22)25-12-7-13-30-14-16-31(17-15-30)21-8-5-4-6-9-21/h4-6,8-11,18,28H,7,12-17H2,1-3H3,(H,25,26)
InChIKeyAGMLRAMZHALNJH-UHFFFAOYSA-N
XLogP2.86
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.64
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-phenylpiperazin-1-yl)propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-[3-(4-phenylpiperazin-1-yl)propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (CID 58561315) is 6-[3-(4-phenylpiperazin-1-yl)propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-[3-(4-phenylpiperazin-1-yl)propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-[3-(4-phenylpiperazin-1-yl)propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCCCN2CCN(c3ccccc3)CC2)nc1.
What is the InChIKey of 6-[3-(4-phenylpiperazin-1-yl)propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The InChIKey is AGMLRAMZHALNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O2S/c1-19-24(20(2)29(3)27-19)28-34(32,33)22-10-11-23(26-18-22)25-12-7-13-30-14-16-31(17-15-30)21-8-5-4-6-9-21/h4-6,8-11,18,28H,7,12-17H2,1-3H3,(H,25,26).
What are the key properties of 6-[3-(4-phenylpiperazin-1-yl)propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
6-[3-(4-phenylpiperazin-1-yl)propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide has a molecular weight of 483.64 g/mol, XLogP of 2.86, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-phenylpiperazin-1-yl)propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 58561315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).