N-[4-[2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

C19H16N6O2S — CID 86843430

IUPACN-[4-[2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESCc1[nH]nc2ncc(NC(=O)Cc3csc(NC(=O)c4ccccc4)n3)cc12
InChIInChI=1S/C19H16N6O2S/c1-11-15-7-13(9-20-17(15)25-24-11)21-16(26)8-14-10-28-19(22-14)23-18(27)12-5-3-2-4-6-12/h2-7,9-10H,8H2,1H3,(H,21,26)(H,20,24,25)(H,22,23,27)
InChIKeyCRUOIQNGTUJKTM-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.16
Rot. Bonds5

About N-[4-[2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

N-[4-[2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 86843430) has the molecular formula C19H16N6O2S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-[4-[2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID86843430
Molecular FormulaC19H16N6O2S
Molecular Weight392.44 g/mol
Exact Mass392.11
IUPAC NameN-[4-[2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESCc1[nH]nc2ncc(NC(=O)Cc3csc(NC(=O)c4ccccc4)n3)cc12
InChIInChI=1S/C19H16N6O2S/c1-11-15-7-13(9-20-17(15)25-24-11)21-16(26)8-14-10-28-19(22-14)23-18(27)12-5-3-2-4-6-12/h2-7,9-10H,8H2,1H3,(H,21,26)(H,20,24,25)(H,22,23,27)
InChIKeyCRUOIQNGTUJKTM-UHFFFAOYSA-N
XLogP3.16
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide 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-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 20930709
3-benzamido-4-methyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 86843489
N-[4-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 25497907
N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567910
N-[4-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 51191490
N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 18568007
N-[4-[2-[3-(methylsulfamoyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 46468648
N-[4-[2-[4-(2-methoxyphenoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 27901869
N-[4-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 55921614
N-[4-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 29370806
N-[4-[2-(2-methoxy-4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 26841886
N-[4-[2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 55786099

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-[2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (CID 86843430) is N-[4-[2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-[2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-[2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is Cc1[nH]nc2ncc(NC(=O)Cc3csc(NC(=O)c4ccccc4)n3)cc12.
What is the InChIKey of N-[4-[2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is CRUOIQNGTUJKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2S/c1-11-15-7-13(9-20-17(15)25-24-11)21-16(26)8-14-10-28-19(22-14)23-18(27)12-5-3-2-4-6-12/h2-7,9-10H,8H2,1H3,(H,21,26)(H,20,24,25)(H,22,23,27).
What are the key properties of N-[4-[2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
N-[4-[2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 392.44 g/mol, XLogP of 3.16, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 86843430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).