N-(3-benzyl-1,3-thiazol-2-ylidene)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide

C17H13N5OS — CID 178167292

IUPACN-(3-benzyl-1,3-thiazol-2-ylidene)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
SMILESO=C(/N=c1/sccn1Cc1ccccc1)c1[nH]nc2ncccc12
InChIInChI=1S/C17H13N5OS/c23-16(14-13-7-4-8-18-15(13)21-20-14)19-17-22(9-10-24-17)11-12-5-2-1-3-6-12/h1-10H,11H2,(H,18,20,21)/b19-17+
InChIKeyQMXBBNSLBNEBQQ-HTXNQAPBSA-N
MW335.39 g/mol
LogP2.61
Rot. Bonds3

About N-(3-benzyl-1,3-thiazol-2-ylidene)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide

N-(3-benzyl-1,3-thiazol-2-ylidene)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide (PubChem CID 178167292) has the molecular formula C17H13N5OS and a molecular weight of 335.39 g/mol. Its IUPAC name is N-(3-benzyl-1,3-thiazol-2-ylidene)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-benzyl-1,3-thiazol-2-ylidene)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
PubChem CID178167292
Molecular FormulaC17H13N5OS
Molecular Weight335.39 g/mol
Exact Mass335.08
IUPAC NameN-(3-benzyl-1,3-thiazol-2-ylidene)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
SMILESO=C(/N=c1/sccn1Cc1ccccc1)c1[nH]nc2ncccc12
InChIInChI=1S/C17H13N5OS/c23-16(14-13-7-4-8-18-15(13)21-20-14)19-17-22(9-10-24-17)11-12-5-2-1-3-6-12/h1-10H,11H2,(H,18,20,21)/b19-17+
InChIKeyQMXBBNSLBNEBQQ-HTXNQAPBSA-N
XLogP2.61
TPSA75.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-1,3-thiazol-2-ylidene)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
The IUPAC name of N-(3-benzyl-1,3-thiazol-2-ylidene)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide (CID 178167292) is N-(3-benzyl-1,3-thiazol-2-ylidene)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-benzyl-1,3-thiazol-2-ylidene)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
The canonical SMILES for N-(3-benzyl-1,3-thiazol-2-ylidene)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide is O=C(/N=c1/sccn1Cc1ccccc1)c1[nH]nc2ncccc12.
What is the InChIKey of N-(3-benzyl-1,3-thiazol-2-ylidene)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
The InChIKey is QMXBBNSLBNEBQQ-HTXNQAPBSA-N. The full InChI is InChI=1S/C17H13N5OS/c23-16(14-13-7-4-8-18-15(13)21-20-14)19-17-22(9-10-24-17)11-12-5-2-1-3-6-12/h1-10H,11H2,(H,18,20,21)/b19-17+.
What are the key properties of N-(3-benzyl-1,3-thiazol-2-ylidene)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
N-(3-benzyl-1,3-thiazol-2-ylidene)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide has a molecular weight of 335.39 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-1,3-thiazol-2-ylidene)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 178167292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).