N-(2,5-diethoxyphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide

C18H21N5O4 — CID 41295505

IUPACN-(2,5-diethoxyphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)Cn2cnc3c(cnn3C)c2=O)c1
InChIInChI=1S/C18H21N5O4/c1-4-26-12-6-7-15(27-5-2)14(8-12)21-16(24)10-23-11-19-17-13(18(23)25)9-20-22(17)3/h6-9,11H,4-5,10H2,1-3H3,(H,21,24)
InChIKeyDTBWFMVAAJSIEE-UHFFFAOYSA-N
MW371.40 g/mol
LogP1.57
Rot. Bonds7

About N-(2,5-diethoxyphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide

N-(2,5-diethoxyphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide (PubChem CID 41295505) has the molecular formula C18H21N5O4 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
PubChem CID41295505
Molecular FormulaC18H21N5O4
Molecular Weight371.40 g/mol
Exact Mass371.16
IUPAC NameN-(2,5-diethoxyphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)Cn2cnc3c(cnn3C)c2=O)c1
InChIInChI=1S/C18H21N5O4/c1-4-26-12-6-7-15(27-5-2)14(8-12)21-16(24)10-23-11-19-17-13(18(23)25)9-20-22(17)3/h6-9,11H,4-5,10H2,1-3H3,(H,21,24)
InChIKeyDTBWFMVAAJSIEE-UHFFFAOYSA-N
XLogP1.57
TPSA100.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2,5-diethoxy-4-[[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]amino]phenyl]benzamide
CID 24594346
N-(2,5-diethoxyphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 55465483
2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-ethoxyphenyl)acetamide
CID 3236282
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-methylpyrazol-3-yl)acetamide
CID 18152736
N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 27559456
N-[5-chloro-2-(dimethylamino)phenyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 78807482
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetohydrazide
CID 19616734
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylphenyl)acetamide
CID 22423881
[2-(2,5-diethoxyanilino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 42085540
N-(2,5-dimethoxyphenyl)-2-[1-(2-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 7243625
N-[2-(azepan-1-yl)phenyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 38166568
N-(2,5-dimethoxyphenyl)-2-[1-(2,3-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 18572447

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide (CID 41295505) is N-(2,5-diethoxyphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide is CCOc1ccc(OCC)c(NC(=O)Cn2cnc3c(cnn3C)c2=O)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The InChIKey is DTBWFMVAAJSIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4/c1-4-26-12-6-7-15(27-5-2)14(8-12)21-16(24)10-23-11-19-17-13(18(23)25)9-20-22(17)3/h6-9,11H,4-5,10H2,1-3H3,(H,21,24).
What are the key properties of N-(2,5-diethoxyphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
N-(2,5-diethoxyphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide has a molecular weight of 371.40 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 41295505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).