2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(2,4,6-trimethylphenyl)propanamide

C26H28N4O2 — CID 50791469

IUPAC2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(C)Oc2cc(C)c3c(C)nn(-c4ccccc4)c3n2)c(C)c1
InChIInChI=1S/C26H28N4O2/c1-15-12-17(3)24(18(4)13-15)28-26(31)20(6)32-22-14-16(2)23-19(5)29-30(25(23)27-22)21-10-8-7-9-11-21/h7-14,20H,1-6H3,(H,28,31)
InChIKeyBLOGFMXCQOXJJG-UHFFFAOYSA-N
MW428.54 g/mol
LogP5.37
Rot. Bonds5

About 2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(2,4,6-trimethylphenyl)propanamide

2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 50791469) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID50791469
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(C)Oc2cc(C)c3c(C)nn(-c4ccccc4)c3n2)c(C)c1
InChIInChI=1S/C26H28N4O2/c1-15-12-17(3)24(18(4)13-15)28-26(31)20(6)32-22-14-16(2)23-19(5)29-30(25(23)27-22)21-10-8-7-9-11-21/h7-14,20H,1-6H3,(H,28,31)
InChIKeyBLOGFMXCQOXJJG-UHFFFAOYSA-N
XLogP5.37
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.54
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(2,4,6-trimethylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(2,4-dimethylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079048
N-(3-chlorophenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 50791159
(2S)-N-(3-acetylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079061
N-(3-acetylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 50791497
(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
2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 50791329
(2S)-N-(2,6-dimethylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079120
[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 8629768
2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(1-phenylethyl)acetamide
CID 50799077
2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(2-ethoxyphenyl)acetamide
CID 50799165
(2S)-N-(3,5-dimethylphenyl)-2-(1-ethyl-3-methyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079260

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(2,4,6-trimethylphenyl)propanamide (CID 50791469) is 2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(2,4,6-trimethylphenyl)propanamide is Cc1cc(C)c(NC(=O)C(C)Oc2cc(C)c3c(C)nn(-c4ccccc4)c3n2)c(C)c1.
What is the InChIKey of 2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is BLOGFMXCQOXJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-15-12-17(3)24(18(4)13-15)28-26(31)20(6)32-22-14-16(2)23-19(5)29-30(25(23)27-22)21-10-8-7-9-11-21/h7-14,20H,1-6H3,(H,28,31).
What are the key properties of 2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(2,4,6-trimethylphenyl)propanamide?
2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 428.54 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 50791469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).