N-(furan-3-ylmethyl)-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide;N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide

C25H21N9O5S4 — CID 159760435

IUPACN-(furan-3-ylmethyl)-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide;N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1ccoc1)c1[nH]nc2ncccc12.O=S(=O)(NCc1csc(-c2cccs2)n1)c1[nH]nc2ncccc12
InChIInChI=1S/C14H11N5O2S3.C11H10N4O3S/c20-24(21,14-10-3-1-5-15-12(10)18-19-14)16-7-9-8-23-13(17-9)11-4-2-6-22-11;16-19(17,13-6-8-3-5-18-7-8)11-9-2-1-4-12-10(9)14-15-11/h1-6,8,16H,7H2,(H,15,18,19);1-5,7,13H,6H2,(H,12,14,15)
InChIKeyNEUOVJTWJHDQBL-UHFFFAOYSA-N
MW655.77 g/mol
LogP3.65
Rot. Bonds9

About N-(furan-3-ylmethyl)-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide;N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide

N-(furan-3-ylmethyl)-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide;N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide (PubChem CID 159760435) has the molecular formula C25H21N9O5S4 and a molecular weight of 655.77 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide;N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide;N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide
PubChem CID159760435
Molecular FormulaC25H21N9O5S4
Molecular Weight655.77 g/mol
Exact Mass655.05
IUPAC NameN-(furan-3-ylmethyl)-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide;N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1ccoc1)c1[nH]nc2ncccc12.O=S(=O)(NCc1csc(-c2cccs2)n1)c1[nH]nc2ncccc12
InChIInChI=1S/C14H11N5O2S3.C11H10N4O3S/c20-24(21,14-10-3-1-5-15-12(10)18-19-14)16-7-9-8-23-13(17-9)11-4-2-6-22-11;16-19(17,13-6-8-3-5-18-7-8)11-9-2-1-4-12-10(9)14-15-11/h1-6,8,16H,7H2,(H,15,18,19);1-5,7,13H,6H2,(H,12,14,15)
InChIKeyNEUOVJTWJHDQBL-UHFFFAOYSA-N
XLogP3.65
TPSA201.51 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.77
LogP ≤ 53.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide;N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide?
The IUPAC name of N-(furan-3-ylmethyl)-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide;N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide (CID 159760435) is N-(furan-3-ylmethyl)-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide;N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide;N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide?
The canonical SMILES for N-(furan-3-ylmethyl)-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide;N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide is O=S(=O)(NCc1ccoc1)c1[nH]nc2ncccc12.O=S(=O)(NCc1csc(-c2cccs2)n1)c1[nH]nc2ncccc12.
What is the InChIKey of N-(furan-3-ylmethyl)-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide;N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide?
The InChIKey is NEUOVJTWJHDQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O2S3.C11H10N4O3S/c20-24(21,14-10-3-1-5-15-12(10)18-19-14)16-7-9-8-23-13(17-9)11-4-2-6-22-11;16-19(17,13-6-8-3-5-18-7-8)11-9-2-1-4-12-10(9)14-15-11/h1-6,8,16H,7H2,(H,15,18,19);1-5,7,13H,6H2,(H,12,14,15).
What are the key properties of N-(furan-3-ylmethyl)-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide;N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide?
N-(furan-3-ylmethyl)-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide;N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide has a molecular weight of 655.77 g/mol, XLogP of 3.65, 9 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide;N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide is sourced from PubChem (CID 159760435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).