3-[5-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-pyridinyl]thiophene-2-carbonitrile

C17H12N6OS — CID 139390657

IUPAC3-[5-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-pyridinyl]thiophene-2-carbonitrile
SMILESCc1nc2nonc2c(N)c1Cc1ccc(-c2ccsc2C#N)nc1
InChIInChI=1S/C17H12N6OS/c1-9-12(15(19)16-17(21-9)23-24-22-16)6-10-2-3-13(20-8-10)11-4-5-25-14(11)7-18/h2-5,8H,6,19H2,1H3
InChIKeyXPAVYZWLLZESID-UHFFFAOYSA-N
MW348.39 g/mol
LogP3.09
Rot. Bonds3

About 3-[5-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-pyridinyl]thiophene-2-carbonitrile

3-[5-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-pyridinyl]thiophene-2-carbonitrile (PubChem CID 139390657) has the molecular formula C17H12N6OS and a molecular weight of 348.39 g/mol. Its IUPAC name is 3-[5-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-pyridinyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-[5-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-pyridinyl]thiophene-2-carbonitrile
PubChem CID139390657
Molecular FormulaC17H12N6OS
Molecular Weight348.39 g/mol
Exact Mass348.08
IUPAC Name3-[5-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-pyridinyl]thiophene-2-carbonitrile
SMILESCc1nc2nonc2c(N)c1Cc1ccc(-c2ccsc2C#N)nc1
InChIInChI=1S/C17H12N6OS/c1-9-12(15(19)16-17(21-9)23-24-22-16)6-10-2-3-13(20-8-10)11-4-5-25-14(11)7-18/h2-5,8H,6,19H2,1H3
InChIKeyXPAVYZWLLZESID-UHFFFAOYSA-N
XLogP3.09
TPSA114.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[5-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-pyridinyl]thiophene-2-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-pyridinyl]thiophene-2-carbonitrile?
The IUPAC name of 3-[5-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-pyridinyl]thiophene-2-carbonitrile (CID 139390657) is 3-[5-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-pyridinyl]thiophene-2-carbonitrile.
What is the SMILES notation for 3-[5-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-pyridinyl]thiophene-2-carbonitrile?
The canonical SMILES for 3-[5-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-pyridinyl]thiophene-2-carbonitrile is Cc1nc2nonc2c(N)c1Cc1ccc(-c2ccsc2C#N)nc1.
What is the InChIKey of 3-[5-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-pyridinyl]thiophene-2-carbonitrile?
The InChIKey is XPAVYZWLLZESID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6OS/c1-9-12(15(19)16-17(21-9)23-24-22-16)6-10-2-3-13(20-8-10)11-4-5-25-14(11)7-18/h2-5,8H,6,19H2,1H3.
What are the key properties of 3-[5-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-pyridinyl]thiophene-2-carbonitrile?
3-[5-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-pyridinyl]thiophene-2-carbonitrile has a molecular weight of 348.39 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-pyridinyl]thiophene-2-carbonitrile is sourced from PubChem (CID 139390657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).