[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone

C18H16F2N4O4S — CID 33089162

IUPAC[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
SMILESCc1noc2ncc(C(=O)N3CCN(S(=O)(=O)c4cc(F)ccc4F)CC3)cc12
InChIInChI=1S/C18H16F2N4O4S/c1-11-14-8-12(10-21-17(14)28-22-11)18(25)23-4-6-24(7-5-23)29(26,27)16-9-13(19)2-3-15(16)20/h2-3,8-10H,4-7H2,1H3
InChIKeyUPQLSDOQGBHFKE-UHFFFAOYSA-N
MW422.41 g/mol
LogP1.96
Rot. Bonds3

About [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone

[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone (PubChem CID 33089162) has the molecular formula C18H16F2N4O4S and a molecular weight of 422.41 g/mol. Its IUPAC name is [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
PubChem CID33089162
Molecular FormulaC18H16F2N4O4S
Molecular Weight422.41 g/mol
Exact Mass422.09
IUPAC Name[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
SMILESCc1noc2ncc(C(=O)N3CCN(S(=O)(=O)c4cc(F)ccc4F)CC3)cc12
InChIInChI=1S/C18H16F2N4O4S/c1-11-14-8-12(10-21-17(14)28-22-11)18(25)23-4-6-24(7-5-23)29(26,27)16-9-13(19)2-3-15(16)20/h2-3,8-10H,4-7H2,1H3
InChIKeyUPQLSDOQGBHFKE-UHFFFAOYSA-N
XLogP1.96
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone 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 [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone?
The IUPAC name of [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone (CID 33089162) is [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone.
What is the SMILES notation for [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone?
The canonical SMILES for [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone is Cc1noc2ncc(C(=O)N3CCN(S(=O)(=O)c4cc(F)ccc4F)CC3)cc12.
What is the InChIKey of [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone?
The InChIKey is UPQLSDOQGBHFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O4S/c1-11-14-8-12(10-21-17(14)28-22-11)18(25)23-4-6-24(7-5-23)29(26,27)16-9-13(19)2-3-15(16)20/h2-3,8-10H,4-7H2,1H3.
What are the key properties of [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone?
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone has a molecular weight of 422.41 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone is sourced from PubChem (CID 33089162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).