4-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]morpholine

C17H19N5OS — CID 70606737

IUPAC4-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]morpholine
SMILESCC(Sc1ncnc2c1cnn2-c1ccccc1)N1CCOCC1
InChIInChI=1S/C17H19N5OS/c1-13(21-7-9-23-10-8-21)24-17-15-11-20-22(16(15)18-12-19-17)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3
InChIKeyNWAKXRWFWKLKNY-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.59
Rot. Bonds4

About 4-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]morpholine

4-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]morpholine (PubChem CID 70606737) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 4-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]morpholine.

Molecular Properties

Compound Name4-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]morpholine
PubChem CID70606737
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name4-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]morpholine
SMILESCC(Sc1ncnc2c1cnn2-c1ccccc1)N1CCOCC1
InChIInChI=1S/C17H19N5OS/c1-13(21-7-9-23-10-8-21)24-17-15-11-20-22(16(15)18-12-19-17)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3
InChIKeyNWAKXRWFWKLKNY-UHFFFAOYSA-N
XLogP2.59
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-methylpiperidin-1-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropan-1-one
CID 18079062
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17393784
N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 31882277
3-cyclopropyl-5-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]-1,2,4-oxadiazole
CID 60514365
4-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 7199646
N-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 993401
N-ethyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide
CID 18199092
(2R)-N-carbamoyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide
CID 2639659
4-[1-(2,4-difluorophenyl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 60558325
S-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl) carbamothioate
CID 88782245
1-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 7188740
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropan-1-one
CID 16507663

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]morpholine?
The IUPAC name of 4-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]morpholine (CID 70606737) is 4-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]morpholine.
What is the SMILES notation for 4-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]morpholine?
The canonical SMILES for 4-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]morpholine is CC(Sc1ncnc2c1cnn2-c1ccccc1)N1CCOCC1.
What is the InChIKey of 4-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]morpholine?
The InChIKey is NWAKXRWFWKLKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-13(21-7-9-23-10-8-21)24-17-15-11-20-22(16(15)18-12-19-17)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3.
What are the key properties of 4-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]morpholine?
4-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]morpholine has a molecular weight of 341.44 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]morpholine is sourced from PubChem (CID 70606737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).