3-(1-cyclopropyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-(1-methylpyrazol-4-yl)piperidin-2-one

C17H23N5OS — CID 75373522

IUPAC3-(1-cyclopropyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-(1-methylpyrazol-4-yl)piperidin-2-one
SMILESCc1nc(SC2CCCN(c3cnn(C)c3)C2=O)n(C2CC2)c1C
InChIInChI=1S/C17H23N5OS/c1-11-12(2)22(13-6-7-13)17(19-11)24-15-5-4-8-21(16(15)23)14-9-18-20(3)10-14/h9-10,13,15H,4-8H2,1-3H3
InChIKeyCYPLKIKPTFGSCX-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.86
Rot. Bonds4

About 3-(1-cyclopropyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-(1-methylpyrazol-4-yl)piperidin-2-one

3-(1-cyclopropyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-(1-methylpyrazol-4-yl)piperidin-2-one (PubChem CID 75373522) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 3-(1-cyclopropyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-(1-methylpyrazol-4-yl)piperidin-2-one.

Molecular Properties

Compound Name3-(1-cyclopropyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-(1-methylpyrazol-4-yl)piperidin-2-one
PubChem CID75373522
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name3-(1-cyclopropyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-(1-methylpyrazol-4-yl)piperidin-2-one
SMILESCc1nc(SC2CCCN(c3cnn(C)c3)C2=O)n(C2CC2)c1C
InChIInChI=1S/C17H23N5OS/c1-11-12(2)22(13-6-7-13)17(19-11)24-15-5-4-8-21(16(15)23)14-9-18-20(3)10-14/h9-10,13,15H,4-8H2,1-3H3
InChIKeyCYPLKIKPTFGSCX-UHFFFAOYSA-N
XLogP2.86
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(1-cyclopropyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-(1-methylpyrazol-4-yl)piperidin-2-one 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-(1-cyclopropyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The IUPAC name of 3-(1-cyclopropyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-(1-methylpyrazol-4-yl)piperidin-2-one (CID 75373522) is 3-(1-cyclopropyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-(1-methylpyrazol-4-yl)piperidin-2-one.
What is the SMILES notation for 3-(1-cyclopropyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The canonical SMILES for 3-(1-cyclopropyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-(1-methylpyrazol-4-yl)piperidin-2-one is Cc1nc(SC2CCCN(c3cnn(C)c3)C2=O)n(C2CC2)c1C.
What is the InChIKey of 3-(1-cyclopropyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The InChIKey is CYPLKIKPTFGSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-11-12(2)22(13-6-7-13)17(19-11)24-15-5-4-8-21(16(15)23)14-9-18-20(3)10-14/h9-10,13,15H,4-8H2,1-3H3.
What are the key properties of 3-(1-cyclopropyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-(1-methylpyrazol-4-yl)piperidin-2-one?
3-(1-cyclopropyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-(1-methylpyrazol-4-yl)piperidin-2-one has a molecular weight of 345.47 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-(1-methylpyrazol-4-yl)piperidin-2-one is sourced from PubChem (CID 75373522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).