2-(2-methylphenoxy)-N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide

C23H30N6O3S — CID 16904245

IUPAC2-(2-methylphenoxy)-N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide
SMILESCCCSc1nc(N2CCOCC2)c2cnn(CCNC(=O)COc3ccccc3C)c2n1
InChIInChI=1S/C23H30N6O3S/c1-3-14-33-23-26-21(28-10-12-31-13-11-28)18-15-25-29(22(18)27-23)9-8-24-20(30)16-32-19-7-5-4-6-17(19)2/h4-7,15H,3,8-14,16H2,1-2H3,(H,24,30)
InChIKeyNUDYLMLOWFRCPW-UHFFFAOYSA-N
MW470.60 g/mol
LogP2.67
Rot. Bonds10

About 2-(2-methylphenoxy)-N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide

2-(2-methylphenoxy)-N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide (PubChem CID 16904245) has the molecular formula C23H30N6O3S and a molecular weight of 470.60 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide
PubChem CID16904245
Molecular FormulaC23H30N6O3S
Molecular Weight470.60 g/mol
Exact Mass470.21
IUPAC Name2-(2-methylphenoxy)-N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide
SMILESCCCSc1nc(N2CCOCC2)c2cnn(CCNC(=O)COc3ccccc3C)c2n1
InChIInChI=1S/C23H30N6O3S/c1-3-14-33-23-26-21(28-10-12-31-13-11-28)18-15-25-29(22(18)27-23)9-8-24-20(30)16-32-19-7-5-4-6-17(19)2/h4-7,15H,3,8-14,16H2,1-2H3,(H,24,30)
InChIKeyNUDYLMLOWFRCPW-UHFFFAOYSA-N
XLogP2.67
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2-(6-ethylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 16903068
2-ethoxy-N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide
CID 16904173
N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]butanamide
CID 16904154
N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-3-phenylpropanamide
CID 16904264
2-(3-methylphenyl)-N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide
CID 16904259
3-methyl-N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]butanamide
CID 16904158
2,2-dimethyl-N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide
CID 16904157
N-[2-[4-(2-ethoxyethylamino)-6-propylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-(2-methylphenoxy)acetamide
CID 16903811
N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-4-phenylbenzamide
CID 16904230
2-(4-ethoxyphenoxy)-N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide
CID 16901887
N-[2-(4-morpholin-4-yl-6-propan-2-ylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-2-phenoxyacetamide
CID 16905405
N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide
CID 16904162

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide (CID 16904245) is 2-(2-methylphenoxy)-N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide is CCCSc1nc(N2CCOCC2)c2cnn(CCNC(=O)COc3ccccc3C)c2n1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide?
The InChIKey is NUDYLMLOWFRCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O3S/c1-3-14-33-23-26-21(28-10-12-31-13-11-28)18-15-25-29(22(18)27-23)9-8-24-20(30)16-32-19-7-5-4-6-17(19)2/h4-7,15H,3,8-14,16H2,1-2H3,(H,24,30).
What are the key properties of 2-(2-methylphenoxy)-N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide?
2-(2-methylphenoxy)-N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide has a molecular weight of 470.60 g/mol, XLogP of 2.67, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 16904245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).