2-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline

C21H15N5S — CID 112797709

IUPAC2-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline
SMILESc1ccc(-n2ncc3c(SCc4ccc5ccccc5n4)ncnc32)cc1
InChIInChI=1S/C21H15N5S/c1-2-7-17(8-3-1)26-20-18(12-24-26)21(23-14-22-20)27-13-16-11-10-15-6-4-5-9-19(15)25-16/h1-12,14H,13H2
InChIKeyKVVAHEKCCVKVHZ-UHFFFAOYSA-N
MW369.45 g/mol
LogP4.66
Rot. Bonds4

About 2-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline

2-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline (PubChem CID 112797709) has the molecular formula C21H15N5S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline.

Molecular Properties

Compound Name2-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline
PubChem CID112797709
Molecular FormulaC21H15N5S
Molecular Weight369.45 g/mol
Exact Mass369.10
IUPAC Name2-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline
SMILESc1ccc(-n2ncc3c(SCc4ccc5ccccc5n4)ncnc32)cc1
InChIInChI=1S/C21H15N5S/c1-2-7-17(8-3-1)26-20-18(12-24-26)21(23-14-22-20)27-13-16-11-10-15-6-4-5-9-19(15)25-16/h1-12,14H,13H2
InChIKeyKVVAHEKCCVKVHZ-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

Analyze 2-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
4-(quinolin-2-ylmethylsulfanyl)quinazoline
CID 6919194
8-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline
CID 37133707
4-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]benzonitrile
CID 16507685
4-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 7199646
8-methyl-2-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 16507616
3-benzyl-5-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 38867066
propan-2-yl 2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetate
CID 645916
3-(furan-2-yl)-5-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 55551341
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

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline?
The IUPAC name of 2-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline (CID 112797709) is 2-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline.
What is the SMILES notation for 2-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline?
The canonical SMILES for 2-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline is c1ccc(-n2ncc3c(SCc4ccc5ccccc5n4)ncnc32)cc1.
What is the InChIKey of 2-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline?
The InChIKey is KVVAHEKCCVKVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5S/c1-2-7-17(8-3-1)26-20-18(12-24-26)21(23-14-22-20)27-13-16-11-10-15-6-4-5-9-19(15)25-16/h1-12,14H,13H2.
What are the key properties of 2-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline?
2-[(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 2-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline is sourced from PubChem (CID 112797709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).