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

C25H26N4O2 — CID 50791248

IUPACN-(2,5-dimethylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
SMILESCc1ccc(C)c(NC(=O)C(C)Oc2cc(-c3ccccc3)c3c(C)nn(C)c3n2)c1
InChIInChI=1S/C25H26N4O2/c1-15-11-12-16(2)21(13-15)26-25(30)18(4)31-22-14-20(19-9-7-6-8-10-19)23-17(3)28-29(5)24(23)27-22/h6-14,18H,1-5H3,(H,26,30)
InChIKeyDUYSTBKMBPBQIM-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.97
Rot. Bonds5

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

N-(2,5-dimethylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide (PubChem CID 50791248) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
PubChem CID50791248
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-(2,5-dimethylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
SMILESCc1ccc(C)c(NC(=O)C(C)Oc2cc(-c3ccccc3)c3c(C)nn(C)c3n2)c1
InChIInChI=1S/C25H26N4O2/c1-15-11-12-16(2)21(13-15)26-25(30)18(4)31-22-14-20(19-9-7-6-8-10-19)23-17(3)28-29(5)24(23)27-22/h6-14,18H,1-5H3,(H,26,30)
InChIKeyDUYSTBKMBPBQIM-UHFFFAOYSA-N
XLogP4.97
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(2-ethylphenyl)propanamide
CID 94079122
(2S)-N-(2,6-dimethylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079120
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-(4-acetylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079091
(2S)-N-(2,4-dimethylphenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide
CID 94079309
(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-(2,4-dimethylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079048
(2R)-N-(4-acetylphenyl)-2-(1-ethyl-3-methyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079211
(2S)-2-(2,5-dimethylphenoxy)-N-(2-phenylphenyl)propanamide
CID 40866622
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 N-(2,5-dimethylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide (CID 50791248) is N-(2,5-dimethylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide is Cc1ccc(C)c(NC(=O)C(C)Oc2cc(-c3ccccc3)c3c(C)nn(C)c3n2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide?
The InChIKey is DUYSTBKMBPBQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-15-11-12-16(2)21(13-15)26-25(30)18(4)31-22-14-20(19-9-7-6-8-10-19)23-17(3)28-29(5)24(23)27-22/h6-14,18H,1-5H3,(H,26,30).
What are the key properties of N-(2,5-dimethylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide?
N-(2,5-dimethylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide has a molecular weight of 414.51 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide is sourced from PubChem (CID 50791248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).