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

C18H17N5OS — CID 38285036

IUPACN-(1,3-benzothiazol-2-ylmethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2nc3ccccc3s2)c2c(C)nn(C)c2n1
InChIInChI=1S/C18H17N5OS/c1-10-8-12(16-11(2)22-23(3)17(16)20-10)18(24)19-9-15-21-13-6-4-5-7-14(13)25-15/h4-8H,9H2,1-3H3,(H,19,24)
InChIKeyJWYGRQQXKCDRCK-UHFFFAOYSA-N
MW351.44 g/mol
LogP3.12
Rot. Bonds3

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

N-(1,3-benzothiazol-2-ylmethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 38285036) has the molecular formula C18H17N5OS and a molecular weight of 351.44 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID38285036
Molecular FormulaC18H17N5OS
Molecular Weight351.44 g/mol
Exact Mass351.12
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2nc3ccccc3s2)c2c(C)nn(C)c2n1
InChIInChI=1S/C18H17N5OS/c1-10-8-12(16-11(2)22-23(3)17(16)20-10)18(24)19-9-15-21-13-6-4-5-7-14(13)25-15/h4-8H,9H2,1-3H3,(H,19,24)
InChIKeyJWYGRQQXKCDRCK-UHFFFAOYSA-N
XLogP3.12
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzothiazol-2-ylmethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(1,3-benzothiazol-2-yl)propyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 38900912
N-(1,3-benzothiazol-2-ylmethyl)-2,5-dimethylpyrazole-3-carboxamide
CID 11637801
2-[[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245066
N-(1,3-benzothiazol-2-ylmethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 38135979
1,3,6-trimethyl-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 32753002
N-[(3-chlorophenyl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 46514405
N-[[4-(dimethylamino)phenyl]methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16621872
N-(2-hydroxyethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 110883675
N-(1,3-benzothiazol-2-ylmethyl)-4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide
CID 36652880
1,3-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55500586
1,3,6-trimethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 131893193
N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methylbenzamide
CID 31100846

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 38285036) is N-(1,3-benzothiazol-2-ylmethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NCc2nc3ccccc3s2)c2c(C)nn(C)c2n1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is JWYGRQQXKCDRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5OS/c1-10-8-12(16-11(2)22-23(3)17(16)20-10)18(24)19-9-15-21-13-6-4-5-7-14(13)25-15/h4-8H,9H2,1-3H3,(H,19,24).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-(1,3-benzothiazol-2-ylmethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 351.44 g/mol, XLogP of 3.12, 3 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-ylmethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 38285036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).