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

C20H33N7O2S — CID 57397062

IUPAC6-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCCN2CCN(C(C)C)CC2)nc1
InChIInChI=1S/C20H33N7O2S/c1-15(2)27-12-10-26(11-13-27)9-8-21-19-7-6-18(14-22-19)30(28,29)24-20-16(3)23-25(5)17(20)4/h6-7,14-15,24H,8-13H2,1-5H3,(H,21,22)
InChIKeyGPACLUXKWVKLOA-UHFFFAOYSA-N
MW435.60 g/mol
LogP1.67
Rot. Bonds8

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

6-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (PubChem CID 57397062) has the molecular formula C20H33N7O2S and a molecular weight of 435.60 g/mol. Its IUPAC name is 6-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
PubChem CID57397062
Molecular FormulaC20H33N7O2S
Molecular Weight435.60 g/mol
Exact Mass435.24
IUPAC Name6-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCCN2CCN(C(C)C)CC2)nc1
InChIInChI=1S/C20H33N7O2S/c1-15(2)27-12-10-26(11-13-27)9-8-21-19-7-6-18(14-22-19)30(28,29)24-20-16(3)23-25(5)17(20)4/h6-7,14-15,24H,8-13H2,1-5H3,(H,21,22)
InChIKeyGPACLUXKWVKLOA-UHFFFAOYSA-N
XLogP1.67
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.60
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (CID 57397062) is 6-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCCN2CCN(C(C)C)CC2)nc1.
What is the InChIKey of 6-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The InChIKey is GPACLUXKWVKLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N7O2S/c1-15(2)27-12-10-26(11-13-27)9-8-21-19-7-6-18(14-22-19)30(28,29)24-20-16(3)23-25(5)17(20)4/h6-7,14-15,24H,8-13H2,1-5H3,(H,21,22).
What are the key properties of 6-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
6-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide has a molecular weight of 435.60 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 57397062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).