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

C26H28N4O2 — CID 50791417

IUPAC2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(4-propan-2-ylphenyl)propanamide
SMILESCc1nn(C)c2nc(OC(C)C(=O)Nc3ccc(C(C)C)cc3)cc(-c3ccccc3)c12
InChIInChI=1S/C26H28N4O2/c1-16(2)19-11-13-21(14-12-19)27-26(31)18(4)32-23-15-22(20-9-7-6-8-10-20)24-17(3)29-30(5)25(24)28-23/h6-16,18H,1-5H3,(H,27,31)
InChIKeyHERYHDVZSKGKBA-UHFFFAOYSA-N
MW428.54 g/mol
LogP5.47
Rot. Bonds6

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

2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 50791417) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(4-propan-2-ylphenyl)propanamide
PubChem CID50791417
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(4-propan-2-ylphenyl)propanamide
SMILESCc1nn(C)c2nc(OC(C)C(=O)Nc3ccc(C(C)C)cc3)cc(-c3ccccc3)c12
InChIInChI=1S/C26H28N4O2/c1-16(2)19-11-13-21(14-12-19)27-26(31)18(4)32-23-15-22(20-9-7-6-8-10-20)24-17(3)29-30(5)25(24)28-23/h6-16,18H,1-5H3,(H,27,31)
InChIKeyHERYHDVZSKGKBA-UHFFFAOYSA-N
XLogP5.47
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.54
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(4-acetylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079091
(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
(2S)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(4-propan-2-ylphenyl)propanamide
CID 94079374
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
(2R)-N-(4-acetylphenyl)-2-(1-ethyl-3-methyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079211
(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
(2R)-N-(3,4-dimethylphenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide
CID 94079337
N-(2-chlorophenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetamide
CID 50791355

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(4-propan-2-ylphenyl)propanamide (CID 50791417) is 2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(4-propan-2-ylphenyl)propanamide is Cc1nn(C)c2nc(OC(C)C(=O)Nc3ccc(C(C)C)cc3)cc(-c3ccccc3)c12.
What is the InChIKey of 2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is HERYHDVZSKGKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-16(2)19-11-13-21(14-12-19)27-26(31)18(4)32-23-15-22(20-9-7-6-8-10-20)24-17(3)29-30(5)25(24)28-23/h6-16,18H,1-5H3,(H,27,31).
What are the key properties of 2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(4-propan-2-ylphenyl)propanamide?
2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 428.54 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 50791417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).