6-(2-piperazin-1-ylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide

C17H27N7O2S — CID 57404042

IUPAC6-(2-piperazin-1-ylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCCN2CCNCC2)nc1
InChIInChI=1S/C17H27N7O2S/c1-13-17(14(2)23(3)21-13)22-27(25,26)15-4-5-16(20-12-15)19-8-11-24-9-6-18-7-10-24/h4-5,12,18,22H,6-11H2,1-3H3,(H,19,20)
InChIKeyQPTPQJCHFTYWMD-UHFFFAOYSA-N
MW393.52 g/mol
LogP0.55
Rot. Bonds7

About 6-(2-piperazin-1-ylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide

6-(2-piperazin-1-ylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (PubChem CID 57404042) has the molecular formula C17H27N7O2S and a molecular weight of 393.52 g/mol. Its IUPAC name is 6-(2-piperazin-1-ylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(2-piperazin-1-ylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
PubChem CID57404042
Molecular FormulaC17H27N7O2S
Molecular Weight393.52 g/mol
Exact Mass393.19
IUPAC Name6-(2-piperazin-1-ylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCCN2CCNCC2)nc1
InChIInChI=1S/C17H27N7O2S/c1-13-17(14(2)23(3)21-13)22-27(25,26)15-4-5-16(20-12-15)19-8-11-24-9-6-18-7-10-24/h4-5,12,18,22H,6-11H2,1-3H3,(H,19,20)
InChIKeyQPTPQJCHFTYWMD-UHFFFAOYSA-N
XLogP0.55
TPSA104.18 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.52
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2-piperazin-1-ylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-(2-piperazin-1-ylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (CID 57404042) is 6-(2-piperazin-1-ylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(2-piperazin-1-ylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(2-piperazin-1-ylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCCN2CCNCC2)nc1.
What is the InChIKey of 6-(2-piperazin-1-ylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The InChIKey is QPTPQJCHFTYWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7O2S/c1-13-17(14(2)23(3)21-13)22-27(25,26)15-4-5-16(20-12-15)19-8-11-24-9-6-18-7-10-24/h4-5,12,18,22H,6-11H2,1-3H3,(H,19,20).
What are the key properties of 6-(2-piperazin-1-ylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
6-(2-piperazin-1-ylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide has a molecular weight of 393.52 g/mol, XLogP of 0.55, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-piperazin-1-ylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 57404042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).