N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)butane-1-sulfonamide

C17H20N4O2S — CID 108780973

IUPACN-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cnc2c(c1)c(C)nn2-c1ccccc1
InChIInChI=1S/C17H20N4O2S/c1-3-4-10-24(22,23)20-14-11-16-13(2)19-21(17(16)18-12-14)15-8-6-5-7-9-15/h5-9,11-12,20H,3-4,10H2,1-2H3
InChIKeyZCYJBGDDZSWSDJ-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.27
Rot. Bonds6

About N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)butane-1-sulfonamide

N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)butane-1-sulfonamide (PubChem CID 108780973) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)butane-1-sulfonamide
PubChem CID108780973
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cnc2c(c1)c(C)nn2-c1ccccc1
InChIInChI=1S/C17H20N4O2S/c1-3-4-10-24(22,23)20-14-11-16-13(2)19-21(17(16)18-12-14)15-8-6-5-7-9-15/h5-9,11-12,20H,3-4,10H2,1-2H3
InChIKeyZCYJBGDDZSWSDJ-UHFFFAOYSA-N
XLogP3.27
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)butane-1-sulfonamide?
The IUPAC name of N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)butane-1-sulfonamide (CID 108780973) is N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)butane-1-sulfonamide.
What is the SMILES notation for N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)butane-1-sulfonamide?
The canonical SMILES for N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1cnc2c(c1)c(C)nn2-c1ccccc1.
What is the InChIKey of N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)butane-1-sulfonamide?
The InChIKey is ZCYJBGDDZSWSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-3-4-10-24(22,23)20-14-11-16-13(2)19-21(17(16)18-12-14)15-8-6-5-7-9-15/h5-9,11-12,20H,3-4,10H2,1-2H3.
What are the key properties of N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)butane-1-sulfonamide?
N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)butane-1-sulfonamide has a molecular weight of 344.44 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)butane-1-sulfonamide is sourced from PubChem (CID 108780973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).