2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-naphthalen-1-ylacetamide

C23H16ClN5OS — CID 1445436

IUPAC2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-naphthalen-1-ylacetamide
SMILESO=C(CSc1ncnc2c1cnn2-c1ccccc1Cl)Nc1cccc2ccccc12
InChIInChI=1S/C23H16ClN5OS/c24-18-9-3-4-11-20(18)29-22-17(12-27-29)23(26-14-25-22)31-13-21(30)28-19-10-5-7-15-6-1-2-8-16(15)19/h1-12,14H,13H2,(H,28,30)
InChIKeyPJOGRFBBVILFEJ-UHFFFAOYSA-N
MW445.94 g/mol
LogP5.35
Rot. Bonds5

About 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-naphthalen-1-ylacetamide

2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-naphthalen-1-ylacetamide (PubChem CID 1445436) has the molecular formula C23H16ClN5OS and a molecular weight of 445.94 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-naphthalen-1-ylacetamide
PubChem CID1445436
Molecular FormulaC23H16ClN5OS
Molecular Weight445.94 g/mol
Exact Mass445.08
IUPAC Name2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-naphthalen-1-ylacetamide
SMILESO=C(CSc1ncnc2c1cnn2-c1ccccc1Cl)Nc1cccc2ccccc12
InChIInChI=1S/C23H16ClN5OS/c24-18-9-3-4-11-20(18)29-22-17(12-27-29)23(26-14-25-22)31-13-21(30)28-19-10-5-7-15-6-1-2-8-16(15)19/h1-12,14H,13H2,(H,28,30)
InChIKeyPJOGRFBBVILFEJ-UHFFFAOYSA-N
XLogP5.35
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.94
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
CID 1445418
2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide
CID 1445422
2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 1445402
2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 3193804
N-(2,5-dichlorophenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 1140016
N-(2,6-diethylphenyl)-2-[1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
CID 1445232
2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone
CID 1445395
N-(4-chloro-2-methylphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 3810099
N-(2-chloro-5-methylsulfonylphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 2662167
2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 3193803
N-(2,4-dimethylphenyl)-2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
CID 7199952
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 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-naphthalen-1-ylacetamide (CID 1445436) is 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-naphthalen-1-ylacetamide is O=C(CSc1ncnc2c1cnn2-c1ccccc1Cl)Nc1cccc2ccccc12.
What is the InChIKey of 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-naphthalen-1-ylacetamide?
The InChIKey is PJOGRFBBVILFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN5OS/c24-18-9-3-4-11-20(18)29-22-17(12-27-29)23(26-14-25-22)31-13-21(30)28-19-10-5-7-15-6-1-2-8-16(15)19/h1-12,14H,13H2,(H,28,30).
What are the key properties of 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-naphthalen-1-ylacetamide?
2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-naphthalen-1-ylacetamide has a molecular weight of 445.94 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 1445436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).