N-(1,3-benzothiazol-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide

C17H15N5OS — CID 37019957

IUPACN-(1,3-benzothiazol-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nc2c(cc1C(=O)Nc1nc3ccccc3s1)c(C)nn2C
InChIInChI=1S/C17H15N5OS/c1-9-12(8-11-10(2)21-22(3)15(11)18-9)16(23)20-17-19-13-6-4-5-7-14(13)24-17/h4-8H,1-3H3,(H,19,20,23)
InChIKeyPMOFWUSPFYNZDC-UHFFFAOYSA-N
MW337.41 g/mol
LogP3.45
Rot. Bonds2

About N-(1,3-benzothiazol-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide

N-(1,3-benzothiazol-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 37019957) has the molecular formula C17H15N5OS and a molecular weight of 337.41 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID37019957
Molecular FormulaC17H15N5OS
Molecular Weight337.41 g/mol
Exact Mass337.10
IUPAC NameN-(1,3-benzothiazol-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nc2c(cc1C(=O)Nc1nc3ccccc3s1)c(C)nn2C
InChIInChI=1S/C17H15N5OS/c1-9-12(8-11-10(2)21-22(3)15(11)18-9)16(23)20-17-19-13-6-4-5-7-14(13)24-17/h4-8H,1-3H3,(H,19,20,23)
InChIKeyPMOFWUSPFYNZDC-UHFFFAOYSA-N
XLogP3.45
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide
CID 16952689
1,3,6-trimethyl-N-pyridin-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 36998675
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 37001049
N-(1,3-benzothiazol-2-yl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 27895592
N-(1,3-benzothiazol-2-yl)-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide
CID 60582528
N-(6-acetamido-1,3-benzothiazol-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78839281
N-(1,3-benzothiazol-2-yl)-5-bromo-2,3,4-trimethylbenzamide
CID 23804633
N-(1,3-benzothiazol-2-yl)-1-methylindole-2-carboxamide
CID 52694546
N-(1,3-benzothiazol-2-yl)-2-hydrazinylbenzamide
CID 62236744
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 36978519
6-amino-1,3-dimethyl-N-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 39096980
N-(1,3-benzothiazol-2-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 51054043

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 37019957) is N-(1,3-benzothiazol-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nc2c(cc1C(=O)Nc1nc3ccccc3s1)c(C)nn2C.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is PMOFWUSPFYNZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS/c1-9-12(8-11-10(2)21-22(3)15(11)18-9)16(23)20-17-19-13-6-4-5-7-14(13)24-17/h4-8H,1-3H3,(H,19,20,23).
What are the key properties of N-(1,3-benzothiazol-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-(1,3-benzothiazol-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 337.41 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 37019957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).