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

C24H23ClN4O2 — CID 20944294

IUPACN-(4-chlorophenyl)-2-(1-ethyl-3-methyl-6-oxo-4-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
SMILESCCn1nc(C)c2c(-c3ccccc3)cc(=O)n(C(C)C(=O)Nc3ccc(Cl)cc3)c21
InChIInChI=1S/C24H23ClN4O2/c1-4-28-24-22(15(2)27-28)20(17-8-6-5-7-9-17)14-21(30)29(24)16(3)23(31)26-19-12-10-18(25)11-13-19/h5-14,16H,4H2,1-3H3,(H,26,31)
InChIKeyPYCZCEVHSKRLIT-UHFFFAOYSA-N
MW434.93 g/mol
LogP5.05
Rot. Bonds5

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

N-(4-chlorophenyl)-2-(1-ethyl-3-methyl-6-oxo-4-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide (PubChem CID 20944294) has the molecular formula C24H23ClN4O2 and a molecular weight of 434.93 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(1-ethyl-3-methyl-6-oxo-4-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(1-ethyl-3-methyl-6-oxo-4-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
PubChem CID20944294
Molecular FormulaC24H23ClN4O2
Molecular Weight434.93 g/mol
Exact Mass434.15
IUPAC NameN-(4-chlorophenyl)-2-(1-ethyl-3-methyl-6-oxo-4-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
SMILESCCn1nc(C)c2c(-c3ccccc3)cc(=O)n(C(C)C(=O)Nc3ccc(Cl)cc3)c21
InChIInChI=1S/C24H23ClN4O2/c1-4-28-24-22(15(2)27-28)20(17-8-6-5-7-9-17)14-21(30)29(24)16(3)23(31)26-19-12-10-18(25)11-13-19/h5-14,16H,4H2,1-3H3,(H,26,31)
InChIKeyPYCZCEVHSKRLIT-UHFFFAOYSA-N
XLogP5.05
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.93
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(4-acetylphenyl)-2-(1-ethyl-3-methyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079211
N-[(4-chlorophenyl)methyl]-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
CID 20944267
(2S)-N-(3,5-dimethylphenyl)-2-(1-ethyl-3-methyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079260
N-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 18078421
N-(3,4-dimethylphenyl)-2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 22575759
(2S)-N-(4-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
CID 7708724
(2R)-N-(4-chlorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide
CID 40640849
(2R)-2-[4-(5-chloro-2-propylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-phenylpropanamide
CID 142296010
N-(4-chlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 121079706
N-(4-acetamidophenyl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanamide
CID 46306702
2-(4-benzoylpiperazin-1-yl)-N-(4-chlorophenyl)propanamide
CID 18082984
(2S)-N-(4-chlorophenyl)-2-methyl-3-phenylpropanamide
CID 793554

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(1-ethyl-3-methyl-6-oxo-4-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide?
The IUPAC name of N-(4-chlorophenyl)-2-(1-ethyl-3-methyl-6-oxo-4-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide (CID 20944294) is N-(4-chlorophenyl)-2-(1-ethyl-3-methyl-6-oxo-4-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(1-ethyl-3-methyl-6-oxo-4-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(1-ethyl-3-methyl-6-oxo-4-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide is CCn1nc(C)c2c(-c3ccccc3)cc(=O)n(C(C)C(=O)Nc3ccc(Cl)cc3)c21.
What is the InChIKey of N-(4-chlorophenyl)-2-(1-ethyl-3-methyl-6-oxo-4-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide?
The InChIKey is PYCZCEVHSKRLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2/c1-4-28-24-22(15(2)27-28)20(17-8-6-5-7-9-17)14-21(30)29(24)16(3)23(31)26-19-12-10-18(25)11-13-19/h5-14,16H,4H2,1-3H3,(H,26,31).
What are the key properties of N-(4-chlorophenyl)-2-(1-ethyl-3-methyl-6-oxo-4-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide?
N-(4-chlorophenyl)-2-(1-ethyl-3-methyl-6-oxo-4-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide has a molecular weight of 434.93 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(1-ethyl-3-methyl-6-oxo-4-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide is sourced from PubChem (CID 20944294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).