N-[2-(4-morpholin-4-yl-6-propan-2-ylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-2-phenoxyacetamide

C22H28N6O3S — CID 16905405

IUPACN-[2-(4-morpholin-4-yl-6-propan-2-ylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-2-phenoxyacetamide
SMILESCC(C)Sc1nc(N2CCOCC2)c2cnn(CCNC(=O)COc3ccccc3)c2n1
InChIInChI=1S/C22H28N6O3S/c1-16(2)32-22-25-20(27-10-12-30-13-11-27)18-14-24-28(21(18)26-22)9-8-23-19(29)15-31-17-6-4-3-5-7-17/h3-7,14,16H,8-13,15H2,1-2H3,(H,23,29)
InChIKeyICRHPNCBRSEWBV-UHFFFAOYSA-N
MW456.57 g/mol
LogP2.36
Rot. Bonds9

About N-[2-(4-morpholin-4-yl-6-propan-2-ylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-2-phenoxyacetamide

N-[2-(4-morpholin-4-yl-6-propan-2-ylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-2-phenoxyacetamide (PubChem CID 16905405) has the molecular formula C22H28N6O3S and a molecular weight of 456.57 g/mol. Its IUPAC name is N-[2-(4-morpholin-4-yl-6-propan-2-ylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(4-morpholin-4-yl-6-propan-2-ylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-2-phenoxyacetamide
PubChem CID16905405
Molecular FormulaC22H28N6O3S
Molecular Weight456.57 g/mol
Exact Mass456.19
IUPAC NameN-[2-(4-morpholin-4-yl-6-propan-2-ylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-2-phenoxyacetamide
SMILESCC(C)Sc1nc(N2CCOCC2)c2cnn(CCNC(=O)COc3ccccc3)c2n1
InChIInChI=1S/C22H28N6O3S/c1-16(2)32-22-25-20(27-10-12-30-13-11-27)18-14-24-28(21(18)26-22)9-8-23-19(29)15-31-17-6-4-3-5-7-17/h3-7,14,16H,8-13,15H2,1-2H3,(H,23,29)
InChIKeyICRHPNCBRSEWBV-UHFFFAOYSA-N
XLogP2.36
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-(4-ethoxyphenoxy)-N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide
CID 16901887
methyl 2-[2-(4-morpholin-4-yl-6-propan-2-ylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethylcarbamoyl]benzoate
CID 16905464
ethyl 2-[2-(4-morpholin-4-yl-6-propan-2-ylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethylamino]-2-oxoacetate
CID 16905461
2-phenoxy-N-[2-(4-piperidin-1-yl-6-propan-2-ylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide
CID 16905118
N-[2-(6-ethylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 16903068
2-(4-chlorophenoxy)-2-methyl-N-[2-(4-morpholin-4-yl-6-propan-2-ylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide
CID 16905409
2-(2-methylphenoxy)-N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide
CID 16904245
3,4-dimethyl-N-[2-(4-morpholin-4-yl-6-propan-2-ylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]benzamide
CID 16905354
3,5-dimethyl-N-[2-(4-morpholin-4-yl-6-propan-2-ylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]benzamide
CID 16905353
2-benzylsulfanyl-N-[2-(6-propan-2-ylsulfanyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide
CID 16905276
2-(2,4-dichlorophenoxy)-N-[2-(6-propan-2-ylsulfanyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide
CID 16905262
2-(4-methoxyphenoxy)-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide
CID 16901740

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-morpholin-4-yl-6-propan-2-ylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(4-morpholin-4-yl-6-propan-2-ylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-2-phenoxyacetamide (CID 16905405) is N-[2-(4-morpholin-4-yl-6-propan-2-ylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(4-morpholin-4-yl-6-propan-2-ylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(4-morpholin-4-yl-6-propan-2-ylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-2-phenoxyacetamide is CC(C)Sc1nc(N2CCOCC2)c2cnn(CCNC(=O)COc3ccccc3)c2n1.
What is the InChIKey of N-[2-(4-morpholin-4-yl-6-propan-2-ylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-2-phenoxyacetamide?
The InChIKey is ICRHPNCBRSEWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3S/c1-16(2)32-22-25-20(27-10-12-30-13-11-27)18-14-24-28(21(18)26-22)9-8-23-19(29)15-31-17-6-4-3-5-7-17/h3-7,14,16H,8-13,15H2,1-2H3,(H,23,29).
What are the key properties of N-[2-(4-morpholin-4-yl-6-propan-2-ylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-2-phenoxyacetamide?
N-[2-(4-morpholin-4-yl-6-propan-2-ylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-2-phenoxyacetamide has a molecular weight of 456.57 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-morpholin-4-yl-6-propan-2-ylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 16905405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).