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

C24H23ClN4O2 — CID 20944267

IUPACN-[(4-chlorophenyl)methyl]-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
SMILESCc1cc(=O)n(C(C)C(=O)NCc2ccc(Cl)cc2)c2c1c(C)nn2-c1ccccc1
InChIInChI=1S/C24H23ClN4O2/c1-15-13-21(30)28(17(3)23(31)26-14-18-9-11-19(25)12-10-18)24-22(15)16(2)27-29(24)20-7-5-4-6-8-20/h4-13,17H,14H2,1-3H3,(H,26,31)
InChIKeyZTRHQXKJDINYIH-UHFFFAOYSA-N
MW434.93 g/mol
LogP4.33
Rot. Bonds5

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

N-[(4-chlorophenyl)methyl]-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide (PubChem CID 20944267) has the molecular formula C24H23ClN4O2 and a molecular weight of 434.93 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
PubChem CID20944267
Molecular FormulaC24H23ClN4O2
Molecular Weight434.93 g/mol
Exact Mass434.15
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
SMILESCc1cc(=O)n(C(C)C(=O)NCc2ccc(Cl)cc2)c2c1c(C)nn2-c1ccccc1
InChIInChI=1S/C24H23ClN4O2/c1-15-13-21(30)28(17(3)23(31)26-14-18-9-11-19(25)12-10-18)24-22(15)16(2)27-29(24)20-7-5-4-6-8-20/h4-13,17H,14H2,1-3H3,(H,26,31)
InChIKeyZTRHQXKJDINYIH-UHFFFAOYSA-N
XLogP4.33
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
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-(4-acetamidophenyl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanamide
CID 46306702
N-(4-butylphenyl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanamide
CID 46306667
(2S)-N-benzyl-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079007
(2R)-N-benzyl-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079008
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)acetamide
CID 9147641
N-benzyl-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide
CID 46301475
N-benzyl-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide
CID 20919669
2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 50791329
N-[(4-chlorophenyl)methyl]-3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide
CID 46346260

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide (CID 20944267) is N-[(4-chlorophenyl)methyl]-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide is Cc1cc(=O)n(C(C)C(=O)NCc2ccc(Cl)cc2)c2c1c(C)nn2-c1ccccc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide?
The InChIKey is ZTRHQXKJDINYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2/c1-15-13-21(30)28(17(3)23(31)26-14-18-9-11-19(25)12-10-18)24-22(15)16(2)27-29(24)20-7-5-4-6-8-20/h4-13,17H,14H2,1-3H3,(H,26,31).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide?
N-[(4-chlorophenyl)methyl]-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide has a molecular weight of 434.93 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide is sourced from PubChem (CID 20944267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).