2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N-(2,4-dimethylphenyl)acetamide

C17H19N5O2 — CID 39890863

IUPAC2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cnc3c(C)n(C)nc3c2=O)c(C)c1
InChIInChI=1S/C17H19N5O2/c1-10-5-6-13(11(2)7-10)19-14(23)8-22-9-18-15-12(3)21(4)20-16(15)17(22)24/h5-7,9H,8H2,1-4H3,(H,19,23)
InChIKeyIISGXMGAZWWLDL-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.69
Rot. Bonds3

About 2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N-(2,4-dimethylphenyl)acetamide

2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N-(2,4-dimethylphenyl)acetamide (PubChem CID 39890863) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N-(2,4-dimethylphenyl)acetamide
PubChem CID39890863
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cnc3c(C)n(C)nc3c2=O)c(C)c1
InChIInChI=1S/C17H19N5O2/c1-10-5-6-13(11(2)7-10)19-14(23)8-22-9-18-15-12(3)21(4)20-16(15)17(22)24/h5-7,9H,8H2,1-4H3,(H,19,23)
InChIKeyIISGXMGAZWWLDL-UHFFFAOYSA-N
XLogP1.69
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chloro-5-methylphenyl)-2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)acetamide
CID 39890849
N-(2,4-dimethylphenyl)-2-[3-(4-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 20869538
2-(9-chloro-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-3-yl)-N-(2,4-dimethylphenyl)acetamide
CID 50774077
3-[2-(2,4-dimethylanilino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 22693915
2-[3-[(3-chlorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(2,4-dimethylphenyl)acetamide
CID 45030209
N-(4-bromo-2-methylphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51264976
N-(4-chloro-2-methylphenyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
CID 7628708
3-(5,6-dimethylbenzimidazol-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 861961
ethyl 3-[2-(2,4-dimethylanilino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 1078224
3-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide
CID 50844530
N-(2,4-dimethylphenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50784994
N-(2,4-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 22520414

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N-(2,4-dimethylphenyl)acetamide (CID 39890863) is 2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)Cn2cnc3c(C)n(C)nc3c2=O)c(C)c1.
What is the InChIKey of 2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is IISGXMGAZWWLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-10-5-6-13(11(2)7-10)19-14(23)8-22-9-18-15-12(3)21(4)20-16(15)17(22)24/h5-7,9H,8H2,1-4H3,(H,19,23).
What are the key properties of 2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N-(2,4-dimethylphenyl)acetamide?
2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 325.37 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 39890863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).