[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone

C16H17N5O2S — CID 83275681

IUPAC[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1noc(-c2nn(C)c3c2CN(C(=O)c2sccc2C)CC3)n1
InChIInChI=1S/C16H17N5O2S/c1-9-5-7-24-14(9)16(22)21-6-4-12-11(8-21)13(18-20(12)3)15-17-10(2)19-23-15/h5,7H,4,6,8H2,1-3H3
InChIKeySKLFRRNRWFHLIU-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.35
Rot. Bonds2

About [1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone

[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone (PubChem CID 83275681) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is [1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone
PubChem CID83275681
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1noc(-c2nn(C)c3c2CN(C(=O)c2sccc2C)CC3)n1
InChIInChI=1S/C16H17N5O2S/c1-9-5-7-24-14(9)16(22)21-6-4-12-11(8-21)13(18-20(12)3)15-17-10(2)19-23-15/h5,7H,4,6,8H2,1-3H3
InChIKeySKLFRRNRWFHLIU-UHFFFAOYSA-N
XLogP2.35
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone?
The IUPAC name of [1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone (CID 83275681) is [1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for [1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for [1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone is Cc1noc(-c2nn(C)c3c2CN(C(=O)c2sccc2C)CC3)n1.
What is the InChIKey of [1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone?
The InChIKey is SKLFRRNRWFHLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-9-5-7-24-14(9)16(22)21-6-4-12-11(8-21)13(18-20(12)3)15-17-10(2)19-23-15/h5,7H,4,6,8H2,1-3H3.
What are the key properties of [1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone?
[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone has a molecular weight of 343.41 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 83275681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).