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

C19H29N7O2S — CID 57398843

IUPAC6-(3-piperazin-1-ylpyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(N2CCC(N3CCNCC3)C2)nc1
InChIInChI=1S/C19H29N7O2S/c1-14-19(15(2)24(3)22-14)23-29(27,28)17-4-5-18(21-12-17)26-9-6-16(13-26)25-10-7-20-8-11-25/h4-5,12,16,20,23H,6-11,13H2,1-3H3
InChIKeyDFZWNVAGAJNFJX-UHFFFAOYSA-N
MW419.56 g/mol
LogP0.72
Rot. Bonds5

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

6-(3-piperazin-1-ylpyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (PubChem CID 57398843) has the molecular formula C19H29N7O2S and a molecular weight of 419.56 g/mol. Its IUPAC name is 6-(3-piperazin-1-ylpyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(3-piperazin-1-ylpyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
PubChem CID57398843
Molecular FormulaC19H29N7O2S
Molecular Weight419.56 g/mol
Exact Mass419.21
IUPAC Name6-(3-piperazin-1-ylpyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(N2CCC(N3CCNCC3)C2)nc1
InChIInChI=1S/C19H29N7O2S/c1-14-19(15(2)24(3)22-14)23-29(27,28)17-4-5-18(21-12-17)26-9-6-16(13-26)25-10-7-20-8-11-25/h4-5,12,16,20,23H,6-11,13H2,1-3H3
InChIKeyDFZWNVAGAJNFJX-UHFFFAOYSA-N
XLogP0.72
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.56
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-(3-piperazin-1-ylpyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide with MolForge

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Related Compounds

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1-ethyl-4-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-3-yl]piperazine
CID 133292793
2-methyl-3-(3-piperazin-1-ylpyrrolidin-1-yl)pyrazine
CID 112739456
4-bromo-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3716725
6-(2-morpholin-4-ylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
CID 57402324
4-[[6-[3-(azepan-1-yl)piperidin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 133454493
6-(3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-3-sulfonamide
CID 115314754
6-piperazin-1-yl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-sulfonamide
CID 126621995
N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
CID 47267596
N-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 17426352
2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-sulfonamide
CID 61053156
4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3164045

Frequently Asked Questions

What is the IUPAC name of 6-(3-piperazin-1-ylpyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-(3-piperazin-1-ylpyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (CID 57398843) is 6-(3-piperazin-1-ylpyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(3-piperazin-1-ylpyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(3-piperazin-1-ylpyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(N2CCC(N3CCNCC3)C2)nc1.
What is the InChIKey of 6-(3-piperazin-1-ylpyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The InChIKey is DFZWNVAGAJNFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O2S/c1-14-19(15(2)24(3)22-14)23-29(27,28)17-4-5-18(21-12-17)26-9-6-16(13-26)25-10-7-20-8-11-25/h4-5,12,16,20,23H,6-11,13H2,1-3H3.
What are the key properties of 6-(3-piperazin-1-ylpyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
6-(3-piperazin-1-ylpyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide has a molecular weight of 419.56 g/mol, XLogP of 0.72, 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-ylpyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 57398843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).