2-(2-bromo-4-chlorophenoxy)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide

C18H18BrClN4O2 — CID 24665765

IUPAC2-(2-bromo-4-chlorophenoxy)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)Nc1cnc2c(cnn2C(C)C)c1
InChIInChI=1S/C18H18BrClN4O2/c1-10(2)24-17-12(8-22-24)6-14(9-21-17)23-18(25)11(3)26-16-5-4-13(20)7-15(16)19/h4-11H,1-3H3,(H,23,25)
InChIKeyMSPLEOGTXHOQQI-UHFFFAOYSA-N
MW437.73 g/mol
LogP4.83
Rot. Bonds5

About 2-(2-bromo-4-chlorophenoxy)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide

2-(2-bromo-4-chlorophenoxy)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide (PubChem CID 24665765) has the molecular formula C18H18BrClN4O2 and a molecular weight of 437.73 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide
PubChem CID24665765
Molecular FormulaC18H18BrClN4O2
Molecular Weight437.73 g/mol
Exact Mass436.03
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)Nc1cnc2c(cnn2C(C)C)c1
InChIInChI=1S/C18H18BrClN4O2/c1-10(2)24-17-12(8-22-24)6-14(9-21-17)23-18(25)11(3)26-16-5-4-13(20)7-15(16)19/h4-11H,1-3H3,(H,23,25)
InChIKeyMSPLEOGTXHOQQI-UHFFFAOYSA-N
XLogP4.83
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.73
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-naphthalen-2-ylpropanamide
CID 17231996
N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)propanamide
CID 43080396
(2R)-2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 8728140
2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 4981315
2-(2-bromo-4-chlorophenoxy)-N-(4-nitrophenyl)propanamide
CID 4981359
2-(2-bromo-4-chlorophenoxy)-N-[4-(propanoylamino)phenyl]propanamide
CID 17204918
2-(2-bromo-4-chlorophenoxy)-N-(3-fluorophenyl)propanamide
CID 54788434
2-(2-bromo-4-chlorophenoxy)-N-(4-propoxyphenyl)propanamide
CID 4981442
2-[(3,4-dichlorophenyl)sulfonylamino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide
CID 42890223
2-(2-bromo-4-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 4981382
(2R)-2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylpropanamide
CID 40773106
2-(2-bromo-4-chlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 4981351

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide (CID 24665765) is 2-(2-bromo-4-chlorophenoxy)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide is CC(Oc1ccc(Cl)cc1Br)C(=O)Nc1cnc2c(cnn2C(C)C)c1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide?
The InChIKey is MSPLEOGTXHOQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrClN4O2/c1-10(2)24-17-12(8-22-24)6-14(9-21-17)23-18(25)11(3)26-16-5-4-13(20)7-15(16)19/h4-11H,1-3H3,(H,23,25).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide?
2-(2-bromo-4-chlorophenoxy)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide has a molecular weight of 437.73 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide is sourced from PubChem (CID 24665765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).