6-(5-benzyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide

C26H27N5O3S — CID 46832023

IUPAC6-(5-benzyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(-n2[nH]c3c(c2=O)CN(Cc2ccccc2)CC3)nc1
InChIInChI=1S/C26H27N5O3S/c1-2-30(21-11-7-4-8-12-21)35(33,34)22-13-14-25(27-17-22)31-26(32)23-19-29(16-15-24(23)28-31)18-20-9-5-3-6-10-20/h3-14,17,28H,2,15-16,18-19H2,1H3
InChIKeyIIDRZMLVFOATIK-UHFFFAOYSA-N
MW489.60 g/mol
LogP3.33
Rot. Bonds7

About 6-(5-benzyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide

6-(5-benzyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide (PubChem CID 46832023) has the molecular formula C26H27N5O3S and a molecular weight of 489.60 g/mol. Its IUPAC name is 6-(5-benzyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(5-benzyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide
PubChem CID46832023
Molecular FormulaC26H27N5O3S
Molecular Weight489.60 g/mol
Exact Mass489.18
IUPAC Name6-(5-benzyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(-n2[nH]c3c(c2=O)CN(Cc2ccccc2)CC3)nc1
InChIInChI=1S/C26H27N5O3S/c1-2-30(21-11-7-4-8-12-21)35(33,34)22-13-14-25(27-17-22)31-26(32)23-19-29(16-15-24(23)28-31)18-20-9-5-3-6-10-20/h3-14,17,28H,2,15-16,18-19H2,1H3
InChIKeyIIDRZMLVFOATIK-UHFFFAOYSA-N
XLogP3.33
TPSA91.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(5-benzyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide?
The IUPAC name of 6-(5-benzyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide (CID 46832023) is 6-(5-benzyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(5-benzyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide?
The canonical SMILES for 6-(5-benzyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(-n2[nH]c3c(c2=O)CN(Cc2ccccc2)CC3)nc1.
What is the InChIKey of 6-(5-benzyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide?
The InChIKey is IIDRZMLVFOATIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3S/c1-2-30(21-11-7-4-8-12-21)35(33,34)22-13-14-25(27-17-22)31-26(32)23-19-29(16-15-24(23)28-31)18-20-9-5-3-6-10-20/h3-14,17,28H,2,15-16,18-19H2,1H3.
What are the key properties of 6-(5-benzyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide?
6-(5-benzyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide has a molecular weight of 489.60 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-benzyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide is sourced from PubChem (CID 46832023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).