butane;4-chloro-7-cyclohexyl-5-methylpyrrolo[2,3-d]pyrimidine;ethane;2-hydroxy-N-(2-oxopropyl)acetamide

C26H47ClN4O3 — CID 143087818

IUPACbutane;4-chloro-7-cyclohexyl-5-methylpyrrolo[2,3-d]pyrimidine;ethane;2-hydroxy-N-(2-oxopropyl)acetamide
SMILESCC.CC.CC(=O)CNC(=O)CO.CCCC.Cc1cn(C2CCCCC2)c2ncnc(Cl)c12
InChIInChI=1S/C13H16ClN3.C5H9NO3.C4H10.2C2H6/c1-9-7-17(10-5-3-2-4-6-10)13-11(9)12(14)15-8-16-13;1-4(8)2-6-5(9)3-7;1-3-4-2;2*1-2/h7-8,10H,2-6H2,1H3;7H,2-3H2,1H3,(H,6,9);3-4H2,1-2H3;2*1-2H3
InChIKeySTRYSSIXFGAELJ-UHFFFAOYSA-N
MW499.14 g/mol
LogP6.44
Rot. Bonds5

About butane;4-chloro-7-cyclohexyl-5-methylpyrrolo[2,3-d]pyrimidine;ethane;2-hydroxy-N-(2-oxopropyl)acetamide

butane;4-chloro-7-cyclohexyl-5-methylpyrrolo[2,3-d]pyrimidine;ethane;2-hydroxy-N-(2-oxopropyl)acetamide (PubChem CID 143087818) has the molecular formula C26H47ClN4O3 and a molecular weight of 499.14 g/mol. Its IUPAC name is butane;4-chloro-7-cyclohexyl-5-methylpyrrolo[2,3-d]pyrimidine;ethane;2-hydroxy-N-(2-oxopropyl)acetamide.

Molecular Properties

Compound Namebutane;4-chloro-7-cyclohexyl-5-methylpyrrolo[2,3-d]pyrimidine;ethane;2-hydroxy-N-(2-oxopropyl)acetamide
PubChem CID143087818
Molecular FormulaC26H47ClN4O3
Molecular Weight499.14 g/mol
Exact Mass498.33
IUPAC Namebutane;4-chloro-7-cyclohexyl-5-methylpyrrolo[2,3-d]pyrimidine;ethane;2-hydroxy-N-(2-oxopropyl)acetamide
SMILESCC.CC.CC(=O)CNC(=O)CO.CCCC.Cc1cn(C2CCCCC2)c2ncnc(Cl)c12
InChIInChI=1S/C13H16ClN3.C5H9NO3.C4H10.2C2H6/c1-9-7-17(10-5-3-2-4-6-10)13-11(9)12(14)15-8-16-13;1-4(8)2-6-5(9)3-7;1-3-4-2;2*1-2/h7-8,10H,2-6H2,1H3;7H,2-3H2,1H3,(H,6,9);3-4H2,1-2H3;2*1-2H3
InChIKeySTRYSSIXFGAELJ-UHFFFAOYSA-N
XLogP6.44
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.14
LogP ≤ 56.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze butane;4-chloro-7-cyclohexyl-5-methylpyrrolo[2,3-d]pyrimidine;ethane;2-hydroxy-N-(2-oxopropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of butane;4-chloro-7-cyclohexyl-5-methylpyrrolo[2,3-d]pyrimidine;ethane;2-hydroxy-N-(2-oxopropyl)acetamide?
The IUPAC name of butane;4-chloro-7-cyclohexyl-5-methylpyrrolo[2,3-d]pyrimidine;ethane;2-hydroxy-N-(2-oxopropyl)acetamide (CID 143087818) is butane;4-chloro-7-cyclohexyl-5-methylpyrrolo[2,3-d]pyrimidine;ethane;2-hydroxy-N-(2-oxopropyl)acetamide.
What is the SMILES notation for butane;4-chloro-7-cyclohexyl-5-methylpyrrolo[2,3-d]pyrimidine;ethane;2-hydroxy-N-(2-oxopropyl)acetamide?
The canonical SMILES for butane;4-chloro-7-cyclohexyl-5-methylpyrrolo[2,3-d]pyrimidine;ethane;2-hydroxy-N-(2-oxopropyl)acetamide is CC.CC.CC(=O)CNC(=O)CO.CCCC.Cc1cn(C2CCCCC2)c2ncnc(Cl)c12.
What is the InChIKey of butane;4-chloro-7-cyclohexyl-5-methylpyrrolo[2,3-d]pyrimidine;ethane;2-hydroxy-N-(2-oxopropyl)acetamide?
The InChIKey is STRYSSIXFGAELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3.C5H9NO3.C4H10.2C2H6/c1-9-7-17(10-5-3-2-4-6-10)13-11(9)12(14)15-8-16-13;1-4(8)2-6-5(9)3-7;1-3-4-2;2*1-2/h7-8,10H,2-6H2,1H3;7H,2-3H2,1H3,(H,6,9);3-4H2,1-2H3;2*1-2H3.
What are the key properties of butane;4-chloro-7-cyclohexyl-5-methylpyrrolo[2,3-d]pyrimidine;ethane;2-hydroxy-N-(2-oxopropyl)acetamide?
butane;4-chloro-7-cyclohexyl-5-methylpyrrolo[2,3-d]pyrimidine;ethane;2-hydroxy-N-(2-oxopropyl)acetamide has a molecular weight of 499.14 g/mol, XLogP of 6.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butane;4-chloro-7-cyclohexyl-5-methylpyrrolo[2,3-d]pyrimidine;ethane;2-hydroxy-N-(2-oxopropyl)acetamide is sourced from PubChem (CID 143087818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).