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

C24H23N5O2S — CID 46306813

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
SMILESCc1sc(NC(=O)C(C)n2c(=O)cc(C)c3c(C)nn(-c4ccccc4)c32)c(C#N)c1C
InChIInChI=1S/C24H23N5O2S/c1-13-11-20(30)28(16(4)22(31)26-23-19(12-25)14(2)17(5)32-23)24-21(13)15(3)27-29(24)18-9-7-6-8-10-18/h6-11,16H,1-5H3,(H,26,31)
InChIKeyQZBNFHSSFOKVDN-UHFFFAOYSA-N
MW445.55 g/mol
LogP4.55
Rot. Bonds4

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

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide (PubChem CID 46306813) has the molecular formula C24H23N5O2S and a molecular weight of 445.55 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
PubChem CID46306813
Molecular FormulaC24H23N5O2S
Molecular Weight445.55 g/mol
Exact Mass445.16
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
SMILESCc1sc(NC(=O)C(C)n2c(=O)cc(C)c3c(C)nn(-c4ccccc4)c32)c(C#N)c1C
InChIInChI=1S/C24H23N5O2S/c1-13-11-20(30)28(16(4)22(31)26-23-19(12-25)14(2)17(5)32-23)24-21(13)15(3)27-29(24)18-9-7-6-8-10-18/h6-11,16H,1-5H3,(H,26,31)
InChIKeyQZBNFHSSFOKVDN-UHFFFAOYSA-N
XLogP4.55
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
CID 46306630
ethyl 2-[2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanoylamino]-4,5-dimethylthiophene-3-carboxylate
CID 46306826
N-[(4-chlorophenyl)methyl]-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
CID 20944267
ethyl 4-carbamoyl-5-[2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanoylamino]-2-methylfuran-3-carboxylate
CID 46306856
N-(4-acetamidophenyl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanamide
CID 46306702
2-[3-amino-5-(2-phenylethylsulfanyl)-1,2,4-triazol-4-yl]-N-(3-cyano-4,5-dimethylthiophen-2-yl)propanamide
CID 46305767
N-(2,6-diethylphenyl)-3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
CID 46306737
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 78826535
2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 46306717
4-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496468
ethyl 2-[2-[2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanoylamino]-1,3-thiazol-4-yl]acetate
CID 46306796
N-(4-butylphenyl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanamide
CID 46306667

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide (CID 46306813) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide is Cc1sc(NC(=O)C(C)n2c(=O)cc(C)c3c(C)nn(-c4ccccc4)c32)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide?
The InChIKey is QZBNFHSSFOKVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2S/c1-13-11-20(30)28(16(4)22(31)26-23-19(12-25)14(2)17(5)32-23)24-21(13)15(3)27-29(24)18-9-7-6-8-10-18/h6-11,16H,1-5H3,(H,26,31).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide has a molecular weight of 445.55 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide is sourced from PubChem (CID 46306813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).