N-(2,4-dimethoxyphenyl)-2-[[5-(3,4-dimethylphenyl)-4-oxo-1H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide

C23H23N5O4S — CID 4069456

IUPACN-(2,4-dimethoxyphenyl)-2-[[5-(3,4-dimethylphenyl)-4-oxo-1H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccc(C)c(C)c2)c(OC)c1
InChIInChI=1S/C23H23N5O4S/c1-13-5-6-15(9-14(13)2)28-22(30)17-11-24-27-21(17)26-23(28)33-12-20(29)25-18-8-7-16(31-3)10-19(18)32-4/h5-11H,12H2,1-4H3,(H,24,27)(H,25,29)
InChIKeyHJLZALPYUVHUIU-UHFFFAOYSA-N
MW465.54 g/mol
LogP3.47
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-2-[[5-(3,4-dimethylphenyl)-4-oxo-1H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide

N-(2,4-dimethoxyphenyl)-2-[[5-(3,4-dimethylphenyl)-4-oxo-1H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide (PubChem CID 4069456) has the molecular formula C23H23N5O4S and a molecular weight of 465.54 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[[5-(3,4-dimethylphenyl)-4-oxo-1H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[[5-(3,4-dimethylphenyl)-4-oxo-1H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide
PubChem CID4069456
Molecular FormulaC23H23N5O4S
Molecular Weight465.54 g/mol
Exact Mass465.15
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[[5-(3,4-dimethylphenyl)-4-oxo-1H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccc(C)c(C)c2)c(OC)c1
InChIInChI=1S/C23H23N5O4S/c1-13-5-6-15(9-14(13)2)28-22(30)17-11-24-27-21(17)26-23(28)33-12-20(29)25-18-8-7-16(31-3)10-19(18)32-4/h5-11H,12H2,1-4H3,(H,24,27)(H,25,29)
InChIKeyHJLZALPYUVHUIU-UHFFFAOYSA-N
XLogP3.47
TPSA111.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.54
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[[5-(3,4-dimethylphenyl)-4-oxo-1H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[[5-(3,4-dimethylphenyl)-4-oxo-1H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide (CID 4069456) is N-(2,4-dimethoxyphenyl)-2-[[5-(3,4-dimethylphenyl)-4-oxo-1H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[[5-(3,4-dimethylphenyl)-4-oxo-1H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[[5-(3,4-dimethylphenyl)-4-oxo-1H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide is COc1ccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccc(C)c(C)c2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[[5-(3,4-dimethylphenyl)-4-oxo-1H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide?
The InChIKey is HJLZALPYUVHUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4S/c1-13-5-6-15(9-14(13)2)28-22(30)17-11-24-27-21(17)26-23(28)33-12-20(29)25-18-8-7-16(31-3)10-19(18)32-4/h5-11H,12H2,1-4H3,(H,24,27)(H,25,29).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[[5-(3,4-dimethylphenyl)-4-oxo-1H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide?
N-(2,4-dimethoxyphenyl)-2-[[5-(3,4-dimethylphenyl)-4-oxo-1H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide has a molecular weight of 465.54 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[[5-(3,4-dimethylphenyl)-4-oxo-1H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide is sourced from PubChem (CID 4069456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).