2-(3-bromo-1-ethyl-7-oxopyrazolo[4,5-d]pyrimidin-6-yl)-N-(3-fluoro-4-methoxyphenyl)acetamide

C16H15BrFN5O3 — CID 167236024

IUPAC2-(3-bromo-1-ethyl-7-oxopyrazolo[4,5-d]pyrimidin-6-yl)-N-(3-fluoro-4-methoxyphenyl)acetamide
SMILESCCn1nc(Br)c2ncn(CC(=O)Nc3ccc(OC)c(F)c3)c(=O)c21
InChIInChI=1S/C16H15BrFN5O3/c1-3-23-14-13(15(17)21-23)19-8-22(16(14)25)7-12(24)20-9-4-5-11(26-2)10(18)6-9/h4-6,8H,3,7H2,1-2H3,(H,20,24)
InChIKeyUMGSUTSCDJHMHG-UHFFFAOYSA-N
MW424.23 g/mol
LogP2.16
Rot. Bonds5

About 2-(3-bromo-1-ethyl-7-oxopyrazolo[4,5-d]pyrimidin-6-yl)-N-(3-fluoro-4-methoxyphenyl)acetamide

2-(3-bromo-1-ethyl-7-oxopyrazolo[4,5-d]pyrimidin-6-yl)-N-(3-fluoro-4-methoxyphenyl)acetamide (PubChem CID 167236024) has the molecular formula C16H15BrFN5O3 and a molecular weight of 424.23 g/mol. Its IUPAC name is 2-(3-bromo-1-ethyl-7-oxopyrazolo[4,5-d]pyrimidin-6-yl)-N-(3-fluoro-4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-bromo-1-ethyl-7-oxopyrazolo[4,5-d]pyrimidin-6-yl)-N-(3-fluoro-4-methoxyphenyl)acetamide
PubChem CID167236024
Molecular FormulaC16H15BrFN5O3
Molecular Weight424.23 g/mol
Exact Mass423.03
IUPAC Name2-(3-bromo-1-ethyl-7-oxopyrazolo[4,5-d]pyrimidin-6-yl)-N-(3-fluoro-4-methoxyphenyl)acetamide
SMILESCCn1nc(Br)c2ncn(CC(=O)Nc3ccc(OC)c(F)c3)c(=O)c21
InChIInChI=1S/C16H15BrFN5O3/c1-3-23-14-13(15(17)21-23)19-8-22(16(14)25)7-12(24)20-9-4-5-11(26-2)10(18)6-9/h4-6,8H,3,7H2,1-2H3,(H,20,24)
InChIKeyUMGSUTSCDJHMHG-UHFFFAOYSA-N
XLogP2.16
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.23
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(3-bromo-1-ethyl-7-oxopyrazolo[4,5-d]pyrimidin-6-yl)-N-(3-fluoro-4-methoxyphenyl)acetamide 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

N-(3-fluoro-4-methoxyphenyl)-2-[1-methyl-7-oxo-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 167236087
2-(7,8-dimethoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 30849236
N-(3-fluoro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 46858983
N-(3-chloro-4-methoxyphenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide
CID 51363758
2-[3-[(4-chlorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 40998314
N-(3,4-dimethoxyphenyl)-2-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)acetamide
CID 18525529
2-[2-(3-fluoro-4-methoxyanilino)-2-oxoethyl]sulfanylacetic acid
CID 113427666
N-(4-fluorophenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide
CID 51363757
N-(3,4-dimethoxyphenyl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 4055518
N-(3,4-dimethoxyphenyl)-2-[3-[(4-methylphenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 20869384
N-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 110776473
2-(2,6-dichloropurin-7-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 177001296

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-1-ethyl-7-oxopyrazolo[4,5-d]pyrimidin-6-yl)-N-(3-fluoro-4-methoxyphenyl)acetamide?
The IUPAC name of 2-(3-bromo-1-ethyl-7-oxopyrazolo[4,5-d]pyrimidin-6-yl)-N-(3-fluoro-4-methoxyphenyl)acetamide (CID 167236024) is 2-(3-bromo-1-ethyl-7-oxopyrazolo[4,5-d]pyrimidin-6-yl)-N-(3-fluoro-4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-bromo-1-ethyl-7-oxopyrazolo[4,5-d]pyrimidin-6-yl)-N-(3-fluoro-4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(3-bromo-1-ethyl-7-oxopyrazolo[4,5-d]pyrimidin-6-yl)-N-(3-fluoro-4-methoxyphenyl)acetamide is CCn1nc(Br)c2ncn(CC(=O)Nc3ccc(OC)c(F)c3)c(=O)c21.
What is the InChIKey of 2-(3-bromo-1-ethyl-7-oxopyrazolo[4,5-d]pyrimidin-6-yl)-N-(3-fluoro-4-methoxyphenyl)acetamide?
The InChIKey is UMGSUTSCDJHMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN5O3/c1-3-23-14-13(15(17)21-23)19-8-22(16(14)25)7-12(24)20-9-4-5-11(26-2)10(18)6-9/h4-6,8H,3,7H2,1-2H3,(H,20,24).
What are the key properties of 2-(3-bromo-1-ethyl-7-oxopyrazolo[4,5-d]pyrimidin-6-yl)-N-(3-fluoro-4-methoxyphenyl)acetamide?
2-(3-bromo-1-ethyl-7-oxopyrazolo[4,5-d]pyrimidin-6-yl)-N-(3-fluoro-4-methoxyphenyl)acetamide has a molecular weight of 424.23 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-1-ethyl-7-oxopyrazolo[4,5-d]pyrimidin-6-yl)-N-(3-fluoro-4-methoxyphenyl)acetamide is sourced from PubChem (CID 167236024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).