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

C18H21N5O3 — CID 38701595

IUPACN-benzyl-N-(2-methoxyethyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCOCCN(Cc1ccccc1)C(=O)Cn1cnc2c(cnn2C)c1=O
InChIInChI=1S/C18H21N5O3/c1-21-17-15(10-20-21)18(25)23(13-19-17)12-16(24)22(8-9-26-2)11-14-6-4-3-5-7-14/h3-7,10,13H,8-9,11-12H2,1-2H3
InChIKeyWAEYTUDPHXGQMV-UHFFFAOYSA-N
MW355.40 g/mol
LogP0.81
Rot. Bonds7

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

N-benzyl-N-(2-methoxyethyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide (PubChem CID 38701595) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-benzyl-N-(2-methoxyethyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-(2-methoxyethyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
PubChem CID38701595
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC NameN-benzyl-N-(2-methoxyethyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCOCCN(Cc1ccccc1)C(=O)Cn1cnc2c(cnn2C)c1=O
InChIInChI=1S/C18H21N5O3/c1-21-17-15(10-20-21)18(25)23(13-19-17)12-16(24)22(8-9-26-2)11-14-6-4-3-5-7-14/h3-7,10,13H,8-9,11-12H2,1-2H3
InChIKeyWAEYTUDPHXGQMV-UHFFFAOYSA-N
XLogP0.81
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-N-(furan-2-ylmethyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 34907563
N-benzyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-propan-2-ylacetamide
CID 27559502
N-benzyl-N-cyclopropyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 38253550
N-methoxy-N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 47138210
N-ethyl-N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 134063303
N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)acetamide
CID 51202548
N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 26067761
N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 41439109
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 33414342
N-ethyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-naphthalen-1-ylacetamide
CID 27559371
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 38400635
N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(2-propoxynaphthalen-1-yl)methyl]acetamide
CID 18137288

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-methoxyethyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The IUPAC name of N-benzyl-N-(2-methoxyethyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide (CID 38701595) is N-benzyl-N-(2-methoxyethyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-benzyl-N-(2-methoxyethyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-benzyl-N-(2-methoxyethyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide is COCCN(Cc1ccccc1)C(=O)Cn1cnc2c(cnn2C)c1=O.
What is the InChIKey of N-benzyl-N-(2-methoxyethyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The InChIKey is WAEYTUDPHXGQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-21-17-15(10-20-21)18(25)23(13-19-17)12-16(24)22(8-9-26-2)11-14-6-4-3-5-7-14/h3-7,10,13H,8-9,11-12H2,1-2H3.
What are the key properties of N-benzyl-N-(2-methoxyethyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
N-benzyl-N-(2-methoxyethyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide has a molecular weight of 355.40 g/mol, XLogP of 0.81, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-methoxyethyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 38701595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).