N-(2,6-diethylphenyl)-2-[1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide

C24H25N5OS — CID 1445232

IUPACN-(2,6-diethylphenyl)-2-[1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
SMILESCCc1cccc(CC)c1NC(=O)CSc1ncnc2c1cnn2-c1ccccc1C
InChIInChI=1S/C24H25N5OS/c1-4-17-10-8-11-18(5-2)22(17)28-21(30)14-31-24-19-13-27-29(23(19)25-15-26-24)20-12-7-6-9-16(20)3/h6-13,15H,4-5,14H2,1-3H3,(H,28,30)
InChIKeyWEACWHVPKQGWNU-UHFFFAOYSA-N
MW431.57 g/mol
LogP4.98
Rot. Bonds7

About N-(2,6-diethylphenyl)-2-[1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide

N-(2,6-diethylphenyl)-2-[1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide (PubChem CID 1445232) has the molecular formula C24H25N5OS and a molecular weight of 431.57 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-[1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-[1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
PubChem CID1445232
Molecular FormulaC24H25N5OS
Molecular Weight431.57 g/mol
Exact Mass431.18
IUPAC NameN-(2,6-diethylphenyl)-2-[1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
SMILESCCc1cccc(CC)c1NC(=O)CSc1ncnc2c1cnn2-c1ccccc1C
InChIInChI=1S/C24H25N5OS/c1-4-17-10-8-11-18(5-2)22(17)28-21(30)14-31-24-19-13-27-29(23(19)25-15-26-24)20-12-7-6-9-16(20)3/h6-13,15H,4-5,14H2,1-3H3,(H,28,30)
InChIKeyWEACWHVPKQGWNU-UHFFFAOYSA-N
XLogP4.98
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.57
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethylphenyl)-2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
CID 7199952
N-(2,6-difluorophenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 16507697
2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-naphthalen-1-ylacetamide
CID 1445436
N-(2,6-dibromo-4-methylphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 2048715
2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7199969
2-[1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 1445221
N-[(2,3-dimethylphenyl)carbamoyl]-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 24602196
N-(3-methyl-1,2-oxazol-5-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 18135032
2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide
CID 1445422
N-(4-chloro-2-methylphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 3810099
2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 3193804
2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
CID 1445418

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-[1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-[1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide (CID 1445232) is N-(2,6-diethylphenyl)-2-[1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-[1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-[1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide is CCc1cccc(CC)c1NC(=O)CSc1ncnc2c1cnn2-c1ccccc1C.
What is the InChIKey of N-(2,6-diethylphenyl)-2-[1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide?
The InChIKey is WEACWHVPKQGWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5OS/c1-4-17-10-8-11-18(5-2)22(17)28-21(30)14-31-24-19-13-27-29(23(19)25-15-26-24)20-12-7-6-9-16(20)3/h6-13,15H,4-5,14H2,1-3H3,(H,28,30).
What are the key properties of N-(2,6-diethylphenyl)-2-[1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide?
N-(2,6-diethylphenyl)-2-[1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide has a molecular weight of 431.57 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-[1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide is sourced from PubChem (CID 1445232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).