N-[2,5-diethoxy-4-[[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]amino]phenyl]benzamide

C25H26N6O5 — CID 24594346

IUPACN-[2,5-diethoxy-4-[[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]amino]phenyl]benzamide
SMILESCCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)Cn1cnc2c(cnn2C)c1=O
InChIInChI=1S/C25H26N6O5/c1-4-35-20-12-19(29-24(33)16-9-7-6-8-10-16)21(36-5-2)11-18(20)28-22(32)14-31-15-26-23-17(25(31)34)13-27-30(23)3/h6-13,15H,4-5,14H2,1-3H3,(H,28,32)(H,29,33)
InChIKeyGWZNPQFQFPXQEL-UHFFFAOYSA-N
MW490.52 g/mol
LogP2.82
Rot. Bonds9

About N-[2,5-diethoxy-4-[[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]amino]phenyl]benzamide

N-[2,5-diethoxy-4-[[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]amino]phenyl]benzamide (PubChem CID 24594346) has the molecular formula C25H26N6O5 and a molecular weight of 490.52 g/mol. Its IUPAC name is N-[2,5-diethoxy-4-[[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[2,5-diethoxy-4-[[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]amino]phenyl]benzamide
PubChem CID24594346
Molecular FormulaC25H26N6O5
Molecular Weight490.52 g/mol
Exact Mass490.20
IUPAC NameN-[2,5-diethoxy-4-[[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]amino]phenyl]benzamide
SMILESCCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)Cn1cnc2c(cnn2C)c1=O
InChIInChI=1S/C25H26N6O5/c1-4-35-20-12-19(29-24(33)16-9-7-6-8-10-16)21(36-5-2)11-18(20)28-22(32)14-31-15-26-23-17(25(31)34)13-27-30(23)3/h6-13,15H,4-5,14H2,1-3H3,(H,28,32)(H,29,33)
InChIKeyGWZNPQFQFPXQEL-UHFFFAOYSA-N
XLogP2.82
TPSA129.37 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.52
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[2,5-diethoxy-4-[[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]amino]phenyl]benzamide with MolForge

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Related Compounds

N-(2,5-diethoxyphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 41295505
N-[2-[3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoylamino]phenyl]benzamide
CID 33147932
N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-ethoxyphenyl)acetamide
CID 3236282
N-[2-(azepan-1-yl)phenyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 38166568
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylphenyl)acetamide
CID 22423881
N-[4-[[2-(7-chloro-4-oxoquinazolin-3-yl)acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 24528389
N-[[2-(ethoxymethyl)phenyl]methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 37397903
ethyl 2-[[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]amino]-5-phenylthiophene-3-carboxylate
CID 17429790
N-[(2-methoxyphenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 26022125
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-methylpyrazol-3-yl)acetamide
CID 18152736
N-[5-chloro-2-(dimethylamino)phenyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 78807482

Frequently Asked Questions

What is the IUPAC name of N-[2,5-diethoxy-4-[[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]amino]phenyl]benzamide?
The IUPAC name of N-[2,5-diethoxy-4-[[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]amino]phenyl]benzamide (CID 24594346) is N-[2,5-diethoxy-4-[[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[2,5-diethoxy-4-[[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]amino]phenyl]benzamide?
The canonical SMILES for N-[2,5-diethoxy-4-[[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]amino]phenyl]benzamide is CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)Cn1cnc2c(cnn2C)c1=O.
What is the InChIKey of N-[2,5-diethoxy-4-[[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]amino]phenyl]benzamide?
The InChIKey is GWZNPQFQFPXQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O5/c1-4-35-20-12-19(29-24(33)16-9-7-6-8-10-16)21(36-5-2)11-18(20)28-22(32)14-31-15-26-23-17(25(31)34)13-27-30(23)3/h6-13,15H,4-5,14H2,1-3H3,(H,28,32)(H,29,33).
What are the key properties of N-[2,5-diethoxy-4-[[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]amino]phenyl]benzamide?
N-[2,5-diethoxy-4-[[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]amino]phenyl]benzamide has a molecular weight of 490.52 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-diethoxy-4-[[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 24594346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).