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

C26H27N5O3 — CID 46306702

IUPACN-(4-acetamidophenyl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanamide
SMILESCCC(C(=O)Nc1ccc(NC(C)=O)cc1)n1c(=O)cc(C)c2c(C)nn(-c3ccccc3)c21
InChIInChI=1S/C26H27N5O3/c1-5-22(25(34)28-20-13-11-19(12-14-20)27-18(4)32)30-23(33)15-16(2)24-17(3)29-31(26(24)30)21-9-7-6-8-10-21/h6-15,22H,5H2,1-4H3,(H,27,32)(H,28,34)
InChIKeySYWSMFMHZGMOTA-UHFFFAOYSA-N
MW457.53 g/mol
LogP4.35
Rot. Bonds6

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

N-(4-acetamidophenyl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanamide (PubChem CID 46306702) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanamide
PubChem CID46306702
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC NameN-(4-acetamidophenyl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanamide
SMILESCCC(C(=O)Nc1ccc(NC(C)=O)cc1)n1c(=O)cc(C)c2c(C)nn(-c3ccccc3)c21
InChIInChI=1S/C26H27N5O3/c1-5-22(25(34)28-20-13-11-19(12-14-20)27-18(4)32)30-23(33)15-16(2)24-17(3)29-31(26(24)30)21-9-7-6-8-10-21/h6-15,22H,5H2,1-4H3,(H,27,32)(H,28,34)
InChIKeySYWSMFMHZGMOTA-UHFFFAOYSA-N
XLogP4.35
TPSA98.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-butylphenyl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanamide
CID 46306667
ethyl 2-[2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanoylamino]-4,5-dimethylthiophene-3-carboxylate
CID 46306826
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
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-acetamidophenyl)-2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanamide
CID 46301224
N-[(4-chlorophenyl)methyl]-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
CID 20944267
N-(4-acetylphenyl)-3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
CID 46306760
2-(4-methyl-2-oxoquinolin-1-yl)-N-phenylbutanamide
CID 46301025
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-(1,3-benzothiazol-2-yl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
CID 46306630
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
N-(2,6-diethylphenyl)-3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
CID 46306737

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanamide (CID 46306702) is N-(4-acetamidophenyl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanamide is CCC(C(=O)Nc1ccc(NC(C)=O)cc1)n1c(=O)cc(C)c2c(C)nn(-c3ccccc3)c21.
What is the InChIKey of N-(4-acetamidophenyl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanamide?
The InChIKey is SYWSMFMHZGMOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-5-22(25(34)28-20-13-11-19(12-14-20)27-18(4)32)30-23(33)15-16(2)24-17(3)29-31(26(24)30)21-9-7-6-8-10-21/h6-15,22H,5H2,1-4H3,(H,27,32)(H,28,34).
What are the key properties of N-(4-acetamidophenyl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanamide?
N-(4-acetamidophenyl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanamide has a molecular weight of 457.53 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanamide is sourced from PubChem (CID 46306702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).