6-[2-(4-methyl-2-phenylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide

C24H33N7O2S — CID 58561102

IUPAC6-[2-(4-methyl-2-phenylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCCN2CCN(C)CC2c2ccccc2)nc1
InChIInChI=1S/C24H33N7O2S/c1-18-24(19(2)30(4)27-18)28-34(32,33)21-10-11-23(26-16-21)25-12-13-31-15-14-29(3)17-22(31)20-8-6-5-7-9-20/h5-11,16,22,28H,12-15,17H2,1-4H3,(H,25,26)
InChIKeyKJIKNIONOBEQAK-UHFFFAOYSA-N
MW483.64 g/mol
LogP2.63
Rot. Bonds8

About 6-[2-(4-methyl-2-phenylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide

6-[2-(4-methyl-2-phenylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (PubChem CID 58561102) has the molecular formula C24H33N7O2S and a molecular weight of 483.64 g/mol. Its IUPAC name is 6-[2-(4-methyl-2-phenylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[2-(4-methyl-2-phenylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
PubChem CID58561102
Molecular FormulaC24H33N7O2S
Molecular Weight483.64 g/mol
Exact Mass483.24
IUPAC Name6-[2-(4-methyl-2-phenylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCCN2CCN(C)CC2c2ccccc2)nc1
InChIInChI=1S/C24H33N7O2S/c1-18-24(19(2)30(4)27-18)28-34(32,33)21-10-11-23(26-16-21)25-12-13-31-15-14-29(3)17-22(31)20-8-6-5-7-9-20/h5-11,16,22,28H,12-15,17H2,1-4H3,(H,25,26)
InChIKeyKJIKNIONOBEQAK-UHFFFAOYSA-N
XLogP2.63
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.64
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methyl-2-phenylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-[2-(4-methyl-2-phenylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (CID 58561102) is 6-[2-(4-methyl-2-phenylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-[2-(4-methyl-2-phenylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-[2-(4-methyl-2-phenylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCCN2CCN(C)CC2c2ccccc2)nc1.
What is the InChIKey of 6-[2-(4-methyl-2-phenylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The InChIKey is KJIKNIONOBEQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O2S/c1-18-24(19(2)30(4)27-18)28-34(32,33)21-10-11-23(26-16-21)25-12-13-31-15-14-29(3)17-22(31)20-8-6-5-7-9-20/h5-11,16,22,28H,12-15,17H2,1-4H3,(H,25,26).
What are the key properties of 6-[2-(4-methyl-2-phenylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
6-[2-(4-methyl-2-phenylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide has a molecular weight of 483.64 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methyl-2-phenylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 58561102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).