6-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[4,5-d]pyrimidin-7-one

C17H15ClN6O2 — CID 127034205

IUPAC6-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[4,5-d]pyrimidin-7-one
SMILESCn1ncc2ncn(Cc3nc(CCc4ccc(Cl)cc4)no3)c(=O)c21
InChIInChI=1S/C17H15ClN6O2/c1-23-16-13(8-20-23)19-10-24(17(16)25)9-15-21-14(22-26-15)7-4-11-2-5-12(18)6-3-11/h2-3,5-6,8,10H,4,7,9H2,1H3
InChIKeyGVDZPSKDMZOKOZ-UHFFFAOYSA-N
MW370.80 g/mol
LogP2.00
Rot. Bonds5

About 6-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[4,5-d]pyrimidin-7-one

6-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 127034205) has the molecular formula C17H15ClN6O2 and a molecular weight of 370.80 g/mol. Its IUPAC name is 6-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[4,5-d]pyrimidin-7-one
PubChem CID127034205
Molecular FormulaC17H15ClN6O2
Molecular Weight370.80 g/mol
Exact Mass370.09
IUPAC Name6-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[4,5-d]pyrimidin-7-one
SMILESCn1ncc2ncn(Cc3nc(CCc4ccc(Cl)cc4)no3)c(=O)c21
InChIInChI=1S/C17H15ClN6O2/c1-23-16-13(8-20-23)19-10-24(17(16)25)9-15-21-14(22-26-15)7-4-11-2-5-12(18)6-3-11/h2-3,5-6,8,10H,4,7,9H2,1H3
InChIKeyGVDZPSKDMZOKOZ-UHFFFAOYSA-N
XLogP2.00
TPSA91.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.80
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-chloro-N-[[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide
CID 162671094
6-[4-(4-Chlorophenyl)triazol-1-yl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione
CID 71562556
6-[[3-[2-(4-Chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrimido[4,5-c]pyridazin-5-one
CID 127032100
3-[[3-[(1R,5S)-3-(3-chlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one
CID 166633834
4-(azetidine-1-carbonyl)-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide
CID 71288556
1-(4-Chlorobenzoyl)-3-[4-(3-phenyl-1,2,4-oxadiazol-5-YL)-1H-1,2,3-triazol-1-YL]piperidine
CID 91908532
6-(4-chlorophenyl)-1-isopropyl-2-(1-methyl-1H-pyrazol-5-yl)-5-(1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-5,6-dihydropyrrolo[3,4-d]imidazol-4(1H)-one
CID 86567432
6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-3-ethyl-2-(1-methyl-1H-pyrazol-5-yl)-5,6-dihydropyrrolo[3,4-d]imidazol-4(3H)-one
CID 86567711
6-(4-chlorophenyl)-1-isopropyl-2-(1-methyl-1H-pyrazol-3-yl)-5-(1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-5,6-dihydropyrrolo[3,4-d]imidazol-4(1H)-one
CID 117723239
[(2S)-2-[3-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(6-methyl-3-pyrazol-1-yl-2-pyridinyl)methanone
CID 117871814
US10913742, Example 30
CID 134555058
US10710994, Example 150
CID 139486468

Frequently Asked Questions

What is the IUPAC name of 6-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 6-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[4,5-d]pyrimidin-7-one (CID 127034205) is 6-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 6-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 6-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[4,5-d]pyrimidin-7-one is Cn1ncc2ncn(Cc3nc(CCc4ccc(Cl)cc4)no3)c(=O)c21.
What is the InChIKey of 6-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is GVDZPSKDMZOKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN6O2/c1-23-16-13(8-20-23)19-10-24(17(16)25)9-15-21-14(22-26-15)7-4-11-2-5-12(18)6-3-11/h2-3,5-6,8,10H,4,7,9H2,1H3.
What are the key properties of 6-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[4,5-d]pyrimidin-7-one?
6-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 370.80 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 127034205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).