1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-2-thiophen-3-ylethanone

C17H19N5OS — CID 110234132

IUPAC1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-2-thiophen-3-ylethanone
SMILESCn1nc(C2CCCN(C(=O)Cc3ccsc3)C2)c2nccnc21
InChIInChI=1S/C17H19N5OS/c1-21-17-16(18-5-6-19-17)15(20-21)13-3-2-7-22(10-13)14(23)9-12-4-8-24-11-12/h4-6,8,11,13H,2-3,7,9-10H2,1H3
InChIKeyQSBPDZIBYKEZFP-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.37
Rot. Bonds3

About 1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-2-thiophen-3-ylethanone

1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-2-thiophen-3-ylethanone (PubChem CID 110234132) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-2-thiophen-3-ylethanone
PubChem CID110234132
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-2-thiophen-3-ylethanone
SMILESCn1nc(C2CCCN(C(=O)Cc3ccsc3)C2)c2nccnc21
InChIInChI=1S/C17H19N5OS/c1-21-17-16(18-5-6-19-17)15(20-21)13-3-2-7-22(10-13)14(23)9-12-4-8-24-11-12/h4-6,8,11,13H,2-3,7,9-10H2,1H3
InChIKeyQSBPDZIBYKEZFP-UHFFFAOYSA-N
XLogP2.37
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-2-thiophen-3-ylethanone 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 1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-2-thiophen-3-ylethanone (CID 110234132) is 1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-2-thiophen-3-ylethanone is Cn1nc(C2CCCN(C(=O)Cc3ccsc3)C2)c2nccnc21.
What is the InChIKey of 1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-2-thiophen-3-ylethanone?
The InChIKey is QSBPDZIBYKEZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-21-17-16(18-5-6-19-17)15(20-21)13-3-2-7-22(10-13)14(23)9-12-4-8-24-11-12/h4-6,8,11,13H,2-3,7,9-10H2,1H3.
What are the key properties of 1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-2-thiophen-3-ylethanone?
1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-2-thiophen-3-ylethanone has a molecular weight of 341.44 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 110234132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).