(2S)-N-(4-acetylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide

C25H24N4O3 — CID 94079091

IUPAC(2S)-N-(4-acetylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
SMILESCC(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(-c3ccccc3)c3c(C)nn(C)c3n2)cc1
InChIInChI=1S/C25H24N4O3/c1-15-23-21(19-8-6-5-7-9-19)14-22(27-24(23)29(4)28-15)32-17(3)25(31)26-20-12-10-18(11-13-20)16(2)30/h5-14,17H,1-4H3,(H,26,31)/t17-/m0/s1
InChIKeyJXOJZHGHPODMHB-KRWDZBQOSA-N
MW428.49 g/mol
LogP4.55
Rot. Bonds6

About (2S)-N-(4-acetylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide

(2S)-N-(4-acetylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide (PubChem CID 94079091) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is (2S)-N-(4-acetylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide.

Molecular Properties

Compound Name(2S)-N-(4-acetylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
PubChem CID94079091
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name(2S)-N-(4-acetylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
SMILESCC(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(-c3ccccc3)c3c(C)nn(C)c3n2)cc1
InChIInChI=1S/C25H24N4O3/c1-15-23-21(19-8-6-5-7-9-19)14-22(27-24(23)29(4)28-15)32-17(3)25(31)26-20-12-10-18(11-13-20)16(2)30/h5-14,17H,1-4H3,(H,26,31)/t17-/m0/s1
InChIKeyJXOJZHGHPODMHB-KRWDZBQOSA-N
XLogP4.55
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-N-(4-acetylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide 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

2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(4-propan-2-ylphenyl)propanamide
CID 50791417
(2R)-N-(4-acetylphenyl)-2-(1-ethyl-3-methyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079211
(2S)-N-(2,6-dimethylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079120
(2S)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(2-ethylphenyl)propanamide
CID 94079122
N-(2,5-dimethylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 50791248
N-(2,5-dimethoxyphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 50791276
(2R)-N-(2,4-dimethoxyphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079112
(2S)-N-(3,5-dimethylphenyl)-2-(1-ethyl-3-methyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079260
(2R)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 94079192
(2S)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(4-propan-2-ylphenyl)propanamide
CID 94079374
N-(3-acetylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 50791497
(2S)-N-(3-acetylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079061

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-acetylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide?
The IUPAC name of (2S)-N-(4-acetylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide (CID 94079091) is (2S)-N-(4-acetylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide.
What is the SMILES notation for (2S)-N-(4-acetylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide?
The canonical SMILES for (2S)-N-(4-acetylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide is CC(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(-c3ccccc3)c3c(C)nn(C)c3n2)cc1.
What is the InChIKey of (2S)-N-(4-acetylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide?
The InChIKey is JXOJZHGHPODMHB-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-15-23-21(19-8-6-5-7-9-19)14-22(27-24(23)29(4)28-15)32-17(3)25(31)26-20-12-10-18(11-13-20)16(2)30/h5-14,17H,1-4H3,(H,26,31)/t17-/m0/s1.
What are the key properties of (2S)-N-(4-acetylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide?
(2S)-N-(4-acetylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide has a molecular weight of 428.49 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-acetylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide is sourced from PubChem (CID 94079091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).