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

C18H21N5O2 — CID 27559502

IUPACN-benzyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)Cn1cnc2c(cnn2C)c1=O
InChIInChI=1S/C18H21N5O2/c1-13(2)23(10-14-7-5-4-6-8-14)16(24)11-22-12-19-17-15(18(22)25)9-20-21(17)3/h4-9,12-13H,10-11H2,1-3H3
InChIKeyJESGPWXTUIEOIR-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.57
Rot. Bonds5

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

N-benzyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-propan-2-ylacetamide (PubChem CID 27559502) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-benzyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-propan-2-ylacetamide
PubChem CID27559502
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-benzyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)Cn1cnc2c(cnn2C)c1=O
InChIInChI=1S/C18H21N5O2/c1-13(2)23(10-14-7-5-4-6-8-14)16(24)11-22-12-19-17-15(18(22)25)9-20-21(17)3/h4-9,12-13H,10-11H2,1-3H3
InChIKeyJESGPWXTUIEOIR-UHFFFAOYSA-N
XLogP1.57
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-cyclopropyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 38253550
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CID 38701595
N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)acetamide
CID 51202548
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CID 34907563
N-benzyl-2-(7-fluoro-4-oxoquinazolin-3-yl)-N-propan-2-ylacetamide
CID 40743682
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CID 51288185
N-ethyl-N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 134063303
N-ethyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-naphthalen-1-ylacetamide
CID 27559371
N-(1,2-diphenylethyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 24682393
N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 26067761
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 33414342
2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N,N-di(propan-2-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-benzyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-propan-2-ylacetamide (CID 27559502) is N-benzyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-benzyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-propan-2-ylacetamide is CC(C)N(Cc1ccccc1)C(=O)Cn1cnc2c(cnn2C)c1=O.
What is the InChIKey of N-benzyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-propan-2-ylacetamide?
The InChIKey is JESGPWXTUIEOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-13(2)23(10-14-7-5-4-6-8-14)16(24)11-22-12-19-17-15(18(22)25)9-20-21(17)3/h4-9,12-13H,10-11H2,1-3H3.
What are the key properties of N-benzyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-propan-2-ylacetamide?
N-benzyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-propan-2-ylacetamide has a molecular weight of 339.40 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 27559502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).