3-(3-bromo-4-methoxyphenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide

C17H17BrN4O2 — CID 86843450

IUPAC3-(3-bromo-4-methoxyphenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2cnc3n[nH]c(C)c3c2)cc1Br
InChIInChI=1S/C17H17BrN4O2/c1-10-13-8-12(9-19-17(13)22-21-10)20-16(23)6-4-11-3-5-15(24-2)14(18)7-11/h3,5,7-9H,4,6H2,1-2H3,(H,20,23)(H,19,21,22)
InChIKeyMVMDATLFIBFPRD-UHFFFAOYSA-N
MW389.25 g/mol
LogP3.61
Rot. Bonds5

About 3-(3-bromo-4-methoxyphenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide

3-(3-bromo-4-methoxyphenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide (PubChem CID 86843450) has the molecular formula C17H17BrN4O2 and a molecular weight of 389.25 g/mol. Its IUPAC name is 3-(3-bromo-4-methoxyphenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide.

Molecular Properties

Compound Name3-(3-bromo-4-methoxyphenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide
PubChem CID86843450
Molecular FormulaC17H17BrN4O2
Molecular Weight389.25 g/mol
Exact Mass388.05
IUPAC Name3-(3-bromo-4-methoxyphenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2cnc3n[nH]c(C)c3c2)cc1Br
InChIInChI=1S/C17H17BrN4O2/c1-10-13-8-12(9-19-17(13)22-21-10)20-16(23)6-4-11-3-5-15(24-2)14(18)7-11/h3,5,7-9H,4,6H2,1-2H3,(H,20,23)(H,19,21,22)
InChIKeyMVMDATLFIBFPRD-UHFFFAOYSA-N
XLogP3.61
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 86843296
3-(3-bromo-4-methoxyphenyl)-N-(5-chloro-2-pyridinyl)propanamide
CID 43054897
3-(3-bromo-4-methoxyphenyl)-N-(1H-imidazol-2-yl)propanamide
CID 55027759
N-(4-acetamido-3-methylphenyl)-3-(3-bromo-4-methoxyphenyl)propanamide
CID 38016381
3-methoxy-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-propan-2-yloxybenzamide
CID 86843240
3-(3-bromo-4-methoxyphenyl)-N-methoxypropanamide
CID 38013362
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2-phenoxyethoxy)acetamide
CID 86843517
N-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-4-oxobutyl]furan-2-carboxamide
CID 86843294
3-(3-bromo-4-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 46568198
N'-[3-(3-bromo-4-methoxyphenyl)propanoyl]-4-oxo-3H-phthalazine-1-carbohydrazide
CID 35677956
3-(3-bromo-4-methoxyphenyl)-N-(1,3-dihydroxypropan-2-yl)propanamide
CID 65315523
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-(propanoylamino)benzamide
CID 86843550

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methoxyphenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide?
The IUPAC name of 3-(3-bromo-4-methoxyphenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide (CID 86843450) is 3-(3-bromo-4-methoxyphenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide.
What is the SMILES notation for 3-(3-bromo-4-methoxyphenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide?
The canonical SMILES for 3-(3-bromo-4-methoxyphenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide is COc1ccc(CCC(=O)Nc2cnc3n[nH]c(C)c3c2)cc1Br.
What is the InChIKey of 3-(3-bromo-4-methoxyphenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide?
The InChIKey is MVMDATLFIBFPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4O2/c1-10-13-8-12(9-19-17(13)22-21-10)20-16(23)6-4-11-3-5-15(24-2)14(18)7-11/h3,5,7-9H,4,6H2,1-2H3,(H,20,23)(H,19,21,22).
What are the key properties of 3-(3-bromo-4-methoxyphenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide?
3-(3-bromo-4-methoxyphenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide has a molecular weight of 389.25 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-methoxyphenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide is sourced from PubChem (CID 86843450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).