8-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline

C21H15N5S — CID 37133707

IUPAC8-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline
SMILESc1ccc(-n2ncc3c(SCc4cccc5cccnc45)ncnc32)cc1
InChIInChI=1S/C21H15N5S/c1-2-9-17(10-3-1)26-20-18(12-25-26)21(24-14-23-20)27-13-16-7-4-6-15-8-5-11-22-19(15)16/h1-12,14H,13H2
InChIKeyJZUAWPDXYOARON-UHFFFAOYSA-N
MW369.45 g/mol
LogP4.66
Rot. Bonds4

About 8-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline

8-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline (PubChem CID 37133707) has the molecular formula C21H15N5S and a molecular weight of 369.45 g/mol. Its IUPAC name is 8-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline.

Molecular Properties

Compound Name8-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline
PubChem CID37133707
Molecular FormulaC21H15N5S
Molecular Weight369.45 g/mol
Exact Mass369.10
IUPAC Name8-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline
SMILESc1ccc(-n2ncc3c(SCc4cccc5cccnc45)ncnc32)cc1
InChIInChI=1S/C21H15N5S/c1-2-9-17(10-3-1)26-20-18(12-25-26)21(24-14-23-20)27-13-16-7-4-6-15-8-5-11-22-19(15)16/h1-12,14H,13H2
InChIKeyJZUAWPDXYOARON-UHFFFAOYSA-N
XLogP4.66
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline
CID 112797709
2-phenyl-4-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole
CID 16507589
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 8852385
3-(furan-2-yl)-5-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 55551341
3-benzyl-5-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 38867066
4-(naphthalen-1-ylmethoxy)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 2095018
4-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 7199646
3-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 46644813
1-(2-chlorophenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethanone
CID 3260834
N,N-diethyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 862680
S-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl) carbamothioate
CID 88782245
3-[[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylmethyl]-5-phenyl-1,2,4-oxadiazole
CID 78846673

Frequently Asked Questions

What is the IUPAC name of 8-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline?
The IUPAC name of 8-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline (CID 37133707) is 8-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline.
What is the SMILES notation for 8-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline?
The canonical SMILES for 8-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline is c1ccc(-n2ncc3c(SCc4cccc5cccnc45)ncnc32)cc1.
What is the InChIKey of 8-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline?
The InChIKey is JZUAWPDXYOARON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5S/c1-2-9-17(10-3-1)26-20-18(12-25-26)21(24-14-23-20)27-13-16-7-4-6-15-8-5-11-22-19(15)16/h1-12,14H,13H2.
What are the key properties of 8-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline?
8-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline has a molecular weight of 369.45 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline is sourced from PubChem (CID 37133707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).