6-(1H-indol-5-ylmethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide

C20H22N6O2S — CID 57400517

IUPAC6-(1H-indol-5-ylmethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCc2ccc3[nH]ccc3c2)nc1
InChIInChI=1S/C20H22N6O2S/c1-13-20(14(2)26(3)24-13)25-29(27,28)17-5-7-19(23-12-17)22-11-15-4-6-18-16(10-15)8-9-21-18/h4-10,12,21,25H,11H2,1-3H3,(H,22,23)
InChIKeyFPNUWKJFVUJULR-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.33
Rot. Bonds6

About 6-(1H-indol-5-ylmethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide

6-(1H-indol-5-ylmethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (PubChem CID 57400517) has the molecular formula C20H22N6O2S and a molecular weight of 410.50 g/mol. Its IUPAC name is 6-(1H-indol-5-ylmethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(1H-indol-5-ylmethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
PubChem CID57400517
Molecular FormulaC20H22N6O2S
Molecular Weight410.50 g/mol
Exact Mass410.15
IUPAC Name6-(1H-indol-5-ylmethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCc2ccc3[nH]ccc3c2)nc1
InChIInChI=1S/C20H22N6O2S/c1-13-20(14(2)26(3)24-13)25-29(27,28)17-5-7-19(23-12-17)22-11-15-4-6-18-16(10-15)8-9-21-18/h4-10,12,21,25H,11H2,1-3H3,(H,22,23)
InChIKeyFPNUWKJFVUJULR-UHFFFAOYSA-N
XLogP3.33
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-indol-5-ylmethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-(1H-indol-5-ylmethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (CID 57400517) is 6-(1H-indol-5-ylmethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(1H-indol-5-ylmethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(1H-indol-5-ylmethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCc2ccc3[nH]ccc3c2)nc1.
What is the InChIKey of 6-(1H-indol-5-ylmethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The InChIKey is FPNUWKJFVUJULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2S/c1-13-20(14(2)26(3)24-13)25-29(27,28)17-5-7-19(23-12-17)22-11-15-4-6-18-16(10-15)8-9-21-18/h4-10,12,21,25H,11H2,1-3H3,(H,22,23).
What are the key properties of 6-(1H-indol-5-ylmethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
6-(1H-indol-5-ylmethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide has a molecular weight of 410.50 g/mol, XLogP of 3.33, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indol-5-ylmethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 57400517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).