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

C28H32N4O2 — CID 46306667

IUPACN-(4-butylphenyl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanamide
SMILESCCCCc1ccc(NC(=O)C(CC)n2c(=O)cc(C)c3c(C)nn(-c4ccccc4)c32)cc1
InChIInChI=1S/C28H32N4O2/c1-5-7-11-21-14-16-22(17-15-21)29-27(34)24(6-2)31-25(33)18-19(3)26-20(4)30-32(28(26)31)23-12-9-8-10-13-23/h8-10,12-18,24H,5-7,11H2,1-4H3,(H,29,34)
InChIKeyQEGZQZYQFIRQHR-UHFFFAOYSA-N
MW456.59 g/mol
LogP5.74
Rot. Bonds8

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

N-(4-butylphenyl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanamide (PubChem CID 46306667) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanamide
PubChem CID46306667
Molecular FormulaC28H32N4O2
Molecular Weight456.59 g/mol
Exact Mass456.25
IUPAC NameN-(4-butylphenyl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanamide
SMILESCCCCc1ccc(NC(=O)C(CC)n2c(=O)cc(C)c3c(C)nn(-c4ccccc4)c32)cc1
InChIInChI=1S/C28H32N4O2/c1-5-7-11-21-14-16-22(17-15-21)29-27(34)24(6-2)31-25(33)18-19(3)26-20(4)30-32(28(26)31)23-12-9-8-10-13-23/h8-10,12-18,24H,5-7,11H2,1-4H3,(H,29,34)
InChIKeyQEGZQZYQFIRQHR-UHFFFAOYSA-N
XLogP5.74
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanamide
CID 46306702
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-chlorophenyl)methyl]-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
CID 20944267
3,4-dimethyl-7-pentyl-1-phenylpyrazolo[5,4-b]pyridin-6-one
CID 9146991
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-(4,8-dimethyl-2-oxoquinolin-1-yl)butanamide
CID 46301224
2-(4-methyl-2-oxoquinolin-1-yl)-N-phenylbutanamide
CID 46301025
N-(4-acetylphenyl)-3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
CID 46306760
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

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanamide?
The IUPAC name of N-(4-butylphenyl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanamide (CID 46306667) is N-(4-butylphenyl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanamide.
What is the SMILES notation for N-(4-butylphenyl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanamide?
The canonical SMILES for N-(4-butylphenyl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanamide is CCCCc1ccc(NC(=O)C(CC)n2c(=O)cc(C)c3c(C)nn(-c4ccccc4)c32)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanamide?
The InChIKey is QEGZQZYQFIRQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2/c1-5-7-11-21-14-16-22(17-15-21)29-27(34)24(6-2)31-25(33)18-19(3)26-20(4)30-32(28(26)31)23-12-9-8-10-13-23/h8-10,12-18,24H,5-7,11H2,1-4H3,(H,29,34).
What are the key properties of N-(4-butylphenyl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanamide?
N-(4-butylphenyl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanamide has a molecular weight of 456.59 g/mol, XLogP of 5.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanamide is sourced from PubChem (CID 46306667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).