6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide

C20H23N5O2S — CID 58561173

IUPAC6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(N2CCc3ccccc3C2)nc1
InChIInChI=1S/C20H23N5O2S/c1-14-20(15(2)24(3)22-14)23-28(26,27)18-8-9-19(21-12-18)25-11-10-16-6-4-5-7-17(16)13-25/h4-9,12,23H,10-11,13H2,1-3H3
InChIKeyJEPWYSWSYRSGPL-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.80
Rot. Bonds4

About 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide

6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (PubChem CID 58561173) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
PubChem CID58561173
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(N2CCc3ccccc3C2)nc1
InChIInChI=1S/C20H23N5O2S/c1-14-20(15(2)24(3)22-14)23-28(26,27)18-8-9-19(21-12-18)25-11-10-16-6-4-5-7-17(16)13-25/h4-9,12,23H,10-11,13H2,1-3H3
InChIKeyJEPWYSWSYRSGPL-UHFFFAOYSA-N
XLogP2.80
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (CID 58561173) is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(N2CCc3ccccc3C2)nc1.
What is the InChIKey of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The InChIKey is JEPWYSWSYRSGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-14-20(15(2)24(3)22-14)23-28(26,27)18-8-9-19(21-12-18)25-11-10-16-6-4-5-7-17(16)13-25/h4-9,12,23H,10-11,13H2,1-3H3.
What are the key properties of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide has a molecular weight of 397.50 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 58561173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).