N-(2-methylphenyl)-2-[[2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]-propylamino]acetamide

C25H26N6O2S — CID 29350497

IUPACN-(2-methylphenyl)-2-[[2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)CSc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C25H26N6O2S/c1-3-13-30(15-22(32)29-21-12-8-7-9-18(21)2)23(33)16-34-25-20-14-28-31(24(20)26-17-27-25)19-10-5-4-6-11-19/h4-12,14,17H,3,13,15-16H2,1-2H3,(H,29,32)
InChIKeyARWDOHYMNYPWKJ-UHFFFAOYSA-N
MW474.59 g/mol
LogP4.09
Rot. Bonds9

About N-(2-methylphenyl)-2-[[2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]-propylamino]acetamide

N-(2-methylphenyl)-2-[[2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]-propylamino]acetamide (PubChem CID 29350497) has the molecular formula C25H26N6O2S and a molecular weight of 474.59 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[[2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]-propylamino]acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[[2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]-propylamino]acetamide
PubChem CID29350497
Molecular FormulaC25H26N6O2S
Molecular Weight474.59 g/mol
Exact Mass474.18
IUPAC NameN-(2-methylphenyl)-2-[[2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)CSc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C25H26N6O2S/c1-3-13-30(15-22(32)29-21-12-8-7-9-18(21)2)23(33)16-34-25-20-14-28-31(24(20)26-17-27-25)19-10-5-4-6-11-19/h4-12,14,17H,3,13,15-16H2,1-2H3,(H,29,32)
InChIKeyARWDOHYMNYPWKJ-UHFFFAOYSA-N
XLogP4.09
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-diethyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 862680
N-ethyl-N-(2-methylprop-2-enyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 16507640
N-(4-chloro-2-methylphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 3810099
N-(5-chloro-2-methylphenyl)-2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
CID 3386268
N-(2,6-dibromo-4-methylphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 2048715
N-(2,5-dichlorophenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 1140016
N-[[4-(dimethylamino)phenyl]methyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 99154660
2-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 3459415
N-[(1R)-1-phenylethyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 2653457
N-(2,5-dimethylphenyl)-2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
CID 7199741
N-(3-methyl-1,2-oxazol-5-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 18135032
N-(2,6-difluorophenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 16507697

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[[2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]-propylamino]acetamide?
The IUPAC name of N-(2-methylphenyl)-2-[[2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]-propylamino]acetamide (CID 29350497) is N-(2-methylphenyl)-2-[[2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]-propylamino]acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[[2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]-propylamino]acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-[[2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]-propylamino]acetamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)CSc1ncnc2c1cnn2-c1ccccc1.
What is the InChIKey of N-(2-methylphenyl)-2-[[2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]-propylamino]acetamide?
The InChIKey is ARWDOHYMNYPWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2S/c1-3-13-30(15-22(32)29-21-12-8-7-9-18(21)2)23(33)16-34-25-20-14-28-31(24(20)26-17-27-25)19-10-5-4-6-11-19/h4-12,14,17H,3,13,15-16H2,1-2H3,(H,29,32).
What are the key properties of N-(2-methylphenyl)-2-[[2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]-propylamino]acetamide?
N-(2-methylphenyl)-2-[[2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]-propylamino]acetamide has a molecular weight of 474.59 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[[2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]-propylamino]acetamide is sourced from PubChem (CID 29350497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).