3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide

C27H25N5O2S — CID 46306801

IUPAC3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCc1ccc(-c2csc(NC(=O)CCn3c(=O)cc(C)c4c(C)nn(-c5ccccc5)c43)n2)cc1
InChIInChI=1S/C27H25N5O2S/c1-17-9-11-20(12-10-17)22-16-35-27(28-22)29-23(33)13-14-31-24(34)15-18(2)25-19(3)30-32(26(25)31)21-7-5-4-6-8-21/h4-12,15-16H,13-14H2,1-3H3,(H,28,29,33)
InChIKeyARXUTYLHJCZNFZ-UHFFFAOYSA-N
MW483.60 g/mol
LogP5.26
Rot. Bonds6

About 3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide

3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 46306801) has the molecular formula C27H25N5O2S and a molecular weight of 483.60 g/mol. Its IUPAC name is 3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID46306801
Molecular FormulaC27H25N5O2S
Molecular Weight483.60 g/mol
Exact Mass483.17
IUPAC Name3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCc1ccc(-c2csc(NC(=O)CCn3c(=O)cc(C)c4c(C)nn(-c5ccccc5)c43)n2)cc1
InChIInChI=1S/C27H25N5O2S/c1-17-9-11-20(12-10-17)22-16-35-27(28-22)29-23(33)13-14-31-24(34)15-18(2)25-19(3)30-32(26(25)31)21-7-5-4-6-8-21/h4-12,15-16H,13-14H2,1-3H3,(H,28,29,33)
InChIKeyARXUTYLHJCZNFZ-UHFFFAOYSA-N
XLogP5.26
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.60
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide 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

3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2,4-dimethylphenyl)propanamide
CID 46306734
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide
CID 39765036
N-(4-acetylphenyl)-3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
CID 46306760
3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2-ethoxyphenyl)propanamide
CID 46306754
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 7694168
3,4-dimethyl-7-pentyl-1-phenylpyrazolo[5,4-b]pyridin-6-one
CID 9146991
3-(3,5-dimethylpyrazol-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
CID 30747923
2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 9147641
3,6-dimethyl-1-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 44822880
2-(2-methylindol-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4050178
3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 6484074
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(2-methyl-4-oxoquinazolin-3-yl)propanamide
CID 37020742

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide (CID 46306801) is 3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide is Cc1ccc(-c2csc(NC(=O)CCn3c(=O)cc(C)c4c(C)nn(-c5ccccc5)c43)n2)cc1.
What is the InChIKey of 3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is ARXUTYLHJCZNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2S/c1-17-9-11-20(12-10-17)22-16-35-27(28-22)29-23(33)13-14-31-24(34)15-18(2)25-19(3)30-32(26(25)31)21-7-5-4-6-8-21/h4-12,15-16H,13-14H2,1-3H3,(H,28,29,33).
What are the key properties of 3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide?
3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 483.60 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 46306801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).