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

C18H28N6O2S — CID 16904154

IUPACN-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]butanamide
SMILESCCCSc1nc(N2CCOCC2)c2cnn(CCNC(=O)CCC)c2n1
InChIInChI=1S/C18H28N6O2S/c1-3-5-15(25)19-6-7-24-17-14(13-20-24)16(23-8-10-26-11-9-23)21-18(22-17)27-12-4-2/h13H,3-12H2,1-2H3,(H,19,25)
InChIKeyABPQMKPWTFJUQF-UHFFFAOYSA-N
MW392.53 g/mol
LogP2.08
Rot. Bonds9

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

N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]butanamide (PubChem CID 16904154) has the molecular formula C18H28N6O2S and a molecular weight of 392.53 g/mol. Its IUPAC name is N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]butanamide
PubChem CID16904154
Molecular FormulaC18H28N6O2S
Molecular Weight392.53 g/mol
Exact Mass392.20
IUPAC NameN-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]butanamide
SMILESCCCSc1nc(N2CCOCC2)c2cnn(CCNC(=O)CCC)c2n1
InChIInChI=1S/C18H28N6O2S/c1-3-5-15(25)19-6-7-24-17-14(13-20-24)16(23-8-10-26-11-9-23)21-18(22-17)27-12-4-2/h13H,3-12H2,1-2H3,(H,19,25)
InChIKeyABPQMKPWTFJUQF-UHFFFAOYSA-N
XLogP2.08
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]butanamide
CID 16901797
3-methyl-N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]butanamide
CID 16904158
N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-3-phenylpropanamide
CID 16904264
N-[2-(4-piperidin-1-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]butanamide
CID 16903863
2-ethoxy-N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide
CID 16904173
2,2-dimethyl-N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide
CID 16904157
N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide
CID 16904162
2-(3-methylphenyl)-N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide
CID 16904259
N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]butanamide
CID 16902830
N-[2-(6-propylsulfanyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide
CID 16904005
N-[2-(6-ethylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-3,3-dimethylbutanamide
CID 16902985
4-chloro-N-[2-(6-propylsulfanyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]butanamide
CID 16904028

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]butanamide?
The IUPAC name of N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]butanamide (CID 16904154) is N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]butanamide.
What is the SMILES notation for N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]butanamide?
The canonical SMILES for N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]butanamide is CCCSc1nc(N2CCOCC2)c2cnn(CCNC(=O)CCC)c2n1.
What is the InChIKey of N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]butanamide?
The InChIKey is ABPQMKPWTFJUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2S/c1-3-5-15(25)19-6-7-24-17-14(13-20-24)16(23-8-10-26-11-9-23)21-18(22-17)27-12-4-2/h13H,3-12H2,1-2H3,(H,19,25).
What are the key properties of N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]butanamide?
N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]butanamide has a molecular weight of 392.53 g/mol, XLogP of 2.08, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]butanamide is sourced from PubChem (CID 16904154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).