(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide

C23H21N5OS — CID 9291521

IUPAC(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide
SMILESC[C@H](Sc1ncnc2c1cnn2-c1ccccc1)C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C23H21N5OS/c1-15(22(29)27-18-11-10-16-6-5-7-17(16)12-18)30-23-20-13-26-28(21(20)24-14-25-23)19-8-3-2-4-9-19/h2-4,8-15H,5-7H2,1H3,(H,27,29)/t15-/m0/s1
InChIKeyMQBPSKHIJGASLV-HNNXBMFYSA-N
MW415.52 g/mol
LogP4.42
Rot. Bonds5

About (2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide

(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide (PubChem CID 9291521) has the molecular formula C23H21N5OS and a molecular weight of 415.52 g/mol. Its IUPAC name is (2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide
PubChem CID9291521
Molecular FormulaC23H21N5OS
Molecular Weight415.52 g/mol
Exact Mass415.15
IUPAC Name(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide
SMILESC[C@H](Sc1ncnc2c1cnn2-c1ccccc1)C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C23H21N5OS/c1-15(22(29)27-18-11-10-16-6-5-7-17(16)12-18)30-23-20-13-26-28(21(20)24-14-25-23)19-8-3-2-4-9-19/h2-4,8-15H,5-7H2,1H3,(H,27,29)/t15-/m0/s1
InChIKeyMQBPSKHIJGASLV-HNNXBMFYSA-N
XLogP4.42
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide
CID 18078079
(2R)-N-(3-acetylphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide
CID 7300369
N-(3,5-dichlorophenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide
CID 16507562
(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-quinazolin-4-ylsulfanylpropanamide
CID 40789859
N-(3,4-difluorophenyl)-2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylpropanamide
CID 24601306
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
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropan-1-one
CID 16507663
N-benzyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide
CID 3168223
N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 43014609
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

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide (CID 9291521) is (2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide is C[C@H](Sc1ncnc2c1cnn2-c1ccccc1)C(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of (2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide?
The InChIKey is MQBPSKHIJGASLV-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H21N5OS/c1-15(22(29)27-18-11-10-16-6-5-7-17(16)12-18)30-23-20-13-26-28(21(20)24-14-25-23)19-8-3-2-4-9-19/h2-4,8-15H,5-7H2,1H3,(H,27,29)/t15-/m0/s1.
What are the key properties of (2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide?
(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide has a molecular weight of 415.52 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide is sourced from PubChem (CID 9291521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).