(2R)-N-(3-acetylphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide

C22H19N5O2S — CID 7300369

IUPAC(2R)-N-(3-acetylphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide
SMILESCC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ncnc3c2cnn3-c2ccccc2)c1
InChIInChI=1S/C22H19N5O2S/c1-14(28)16-7-6-8-17(11-16)26-21(29)15(2)30-22-19-12-25-27(20(19)23-13-24-22)18-9-4-3-5-10-18/h3-13,15H,1-2H3,(H,26,29)/t15-/m1/s1
InChIKeyBTTMVOZCWSUNKA-OAHLLOKOSA-N
MW417.49 g/mol
LogP4.14
Rot. Bonds6

About (2R)-N-(3-acetylphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide

(2R)-N-(3-acetylphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide (PubChem CID 7300369) has the molecular formula C22H19N5O2S and a molecular weight of 417.49 g/mol. Its IUPAC name is (2R)-N-(3-acetylphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(3-acetylphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide
PubChem CID7300369
Molecular FormulaC22H19N5O2S
Molecular Weight417.49 g/mol
Exact Mass417.13
IUPAC Name(2R)-N-(3-acetylphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide
SMILESCC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ncnc3c2cnn3-c2ccccc2)c1
InChIInChI=1S/C22H19N5O2S/c1-14(28)16-7-6-8-17(11-16)26-21(29)15(2)30-22-19-12-25-27(20(19)23-13-24-22)18-9-4-3-5-10-18/h3-13,15H,1-2H3,(H,26,29)/t15-/m1/s1
InChIKeyBTTMVOZCWSUNKA-OAHLLOKOSA-N
XLogP4.14
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dichlorophenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide
CID 16507562
N-(4-fluorophenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide
CID 18078079
(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide
CID 9291521
(2R)-N-(3-acetylphenyl)-2-quinazolin-4-ylsulfanylpropanamide
CID 2362911
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
N-(3,4-difluorophenyl)-2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylpropanamide
CID 24601306
N-benzyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide
CID 3168223
N-[(2,4-dimethylphenyl)carbamoyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide
CID 24651011
N-(2,4-difluorophenyl)-2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylpropanamide
CID 24601301
N-(3-acetylphenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 7679719
N-phenyl-3-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]benzamide
CID 55861691

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-acetylphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide?
The IUPAC name of (2R)-N-(3-acetylphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide (CID 7300369) is (2R)-N-(3-acetylphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(3-acetylphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-(3-acetylphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide is CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ncnc3c2cnn3-c2ccccc2)c1.
What is the InChIKey of (2R)-N-(3-acetylphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide?
The InChIKey is BTTMVOZCWSUNKA-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H19N5O2S/c1-14(28)16-7-6-8-17(11-16)26-21(29)15(2)30-22-19-12-25-27(20(19)23-13-24-22)18-9-4-3-5-10-18/h3-13,15H,1-2H3,(H,26,29)/t15-/m1/s1.
What are the key properties of (2R)-N-(3-acetylphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide?
(2R)-N-(3-acetylphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide has a molecular weight of 417.49 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-acetylphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide is sourced from PubChem (CID 7300369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).