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

C20H31N7O2S — CID 57395296

IUPAC6-(3-piperazin-1-ylpiperidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(N2CCCC(N3CCNCC3)C2)nc1
InChIInChI=1S/C20H31N7O2S/c1-15-20(16(2)25(3)23-15)24-30(28,29)18-6-7-19(22-13-18)27-10-4-5-17(14-27)26-11-8-21-9-12-26/h6-7,13,17,21,24H,4-5,8-12,14H2,1-3H3
InChIKeyDYBVVKGMMMWRHW-UHFFFAOYSA-N
MW433.58 g/mol
LogP1.11
Rot. Bonds5

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

6-(3-piperazin-1-ylpiperidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (PubChem CID 57395296) has the molecular formula C20H31N7O2S and a molecular weight of 433.58 g/mol. Its IUPAC name is 6-(3-piperazin-1-ylpiperidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(3-piperazin-1-ylpiperidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
PubChem CID57395296
Molecular FormulaC20H31N7O2S
Molecular Weight433.58 g/mol
Exact Mass433.23
IUPAC Name6-(3-piperazin-1-ylpiperidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(N2CCCC(N3CCNCC3)C2)nc1
InChIInChI=1S/C20H31N7O2S/c1-15-20(16(2)25(3)23-15)24-30(28,29)18-6-7-19(22-13-18)27-10-4-5-17(14-27)26-11-8-21-9-12-26/h6-7,13,17,21,24H,4-5,8-12,14H2,1-3H3
InChIKeyDYBVVKGMMMWRHW-UHFFFAOYSA-N
XLogP1.11
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(3-piperazin-1-ylpiperidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-(3-piperazin-1-ylpiperidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (CID 57395296) is 6-(3-piperazin-1-ylpiperidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(3-piperazin-1-ylpiperidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(3-piperazin-1-ylpiperidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(N2CCCC(N3CCNCC3)C2)nc1.
What is the InChIKey of 6-(3-piperazin-1-ylpiperidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The InChIKey is DYBVVKGMMMWRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N7O2S/c1-15-20(16(2)25(3)23-15)24-30(28,29)18-6-7-19(22-13-18)27-10-4-5-17(14-27)26-11-8-21-9-12-26/h6-7,13,17,21,24H,4-5,8-12,14H2,1-3H3.
What are the key properties of 6-(3-piperazin-1-ylpiperidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
6-(3-piperazin-1-ylpiperidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide has a molecular weight of 433.58 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-piperazin-1-ylpiperidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 57395296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).