1-methyl-6-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one

C14H15N5O2S — CID 136563030

IUPAC1-methyl-6-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESCn1[nH]c(=O)c2c1CN(Cc1nc(-c3cccs3)no1)CC2
InChIInChI=1S/C14H15N5O2S/c1-18-10-7-19(5-4-9(10)14(20)16-18)8-12-15-13(17-21-12)11-3-2-6-22-11/h2-3,6H,4-5,7-8H2,1H3,(H,16,20)
InChIKeyGZOSEYVMBIPSHH-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.38
Rot. Bonds3

About 1-methyl-6-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one

1-methyl-6-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (PubChem CID 136563030) has the molecular formula C14H15N5O2S and a molecular weight of 317.37 g/mol. Its IUPAC name is 1-methyl-6-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name1-methyl-6-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
PubChem CID136563030
Molecular FormulaC14H15N5O2S
Molecular Weight317.37 g/mol
Exact Mass317.09
IUPAC Name1-methyl-6-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESCn1[nH]c(=O)c2c1CN(Cc1nc(-c3cccs3)no1)CC2
InChIInChI=1S/C14H15N5O2S/c1-18-10-7-19(5-4-9(10)14(20)16-18)8-12-15-13(17-21-12)11-3-2-6-22-11/h2-3,6H,4-5,7-8H2,1H3,(H,16,20)
InChIKeyGZOSEYVMBIPSHH-UHFFFAOYSA-N
XLogP1.38
TPSA79.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-6-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one with MolForge

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Related Compounds

5-[[2-methyl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 55627333
5-(1,4-diazepan-1-ylmethyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 43162484
3-propan-2-yl-5-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 43048660
5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 82713468
5-[(2-methylpiperazin-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole;hydrochloride
CID 119916503
2-methyl-5-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]isoindole-1,3-dione
CID 24610075
[4-(methoxymethyl)phenyl]-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 26109899
5-[[(2S)-2-methylpiperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 51924350
5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 18088979
3-[3-oxo-3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propyl]-2H-phthalazine-1,4-dione
CID 55500940
ethyl (3S)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate
CID 42594524
[3-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752607

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of 1-methyl-6-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (CID 136563030) is 1-methyl-6-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 1-methyl-6-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 1-methyl-6-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is Cn1[nH]c(=O)c2c1CN(Cc1nc(-c3cccs3)no1)CC2.
What is the InChIKey of 1-methyl-6-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The InChIKey is GZOSEYVMBIPSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S/c1-18-10-7-19(5-4-9(10)14(20)16-18)8-12-15-13(17-21-12)11-3-2-6-22-11/h2-3,6H,4-5,7-8H2,1H3,(H,16,20).
What are the key properties of 1-methyl-6-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
1-methyl-6-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one has a molecular weight of 317.37 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 136563030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).