3-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole

C18H22FN3O3S — CID 164636987

IUPAC3-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
SMILESCn1nc([C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)c2c1CCOC2
InChIInChI=1S/C18H22FN3O3S/c1-21-16-9-11-25-12-15(16)18(20-21)17-4-2-3-10-22(17)26(23,24)14-7-5-13(19)6-8-14/h5-8,17H,2-4,9-12H2,1H3/t17-/m0/s1
InChIKeyVBBYJMWIYPEMKB-KRWDZBQOSA-N
MW379.46 g/mol
LogP2.55
Rot. Bonds3

About 3-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole

3-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole (PubChem CID 164636987) has the molecular formula C18H22FN3O3S and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole.

Molecular Properties

Compound Name3-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
PubChem CID164636987
Molecular FormulaC18H22FN3O3S
Molecular Weight379.46 g/mol
Exact Mass379.14
IUPAC Name3-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
SMILESCn1nc([C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)c2c1CCOC2
InChIInChI=1S/C18H22FN3O3S/c1-21-16-9-11-25-12-15(16)18(20-21)17-4-2-3-10-22(17)26(23,24)14-7-5-13(19)6-8-14/h5-8,17H,2-4,9-12H2,1H3/t17-/m0/s1
InChIKeyVBBYJMWIYPEMKB-KRWDZBQOSA-N
XLogP2.55
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole 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-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole?
The IUPAC name of 3-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole (CID 164636987) is 3-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole.
What is the SMILES notation for 3-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole?
The canonical SMILES for 3-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole is Cn1nc([C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)c2c1CCOC2.
What is the InChIKey of 3-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole?
The InChIKey is VBBYJMWIYPEMKB-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22FN3O3S/c1-21-16-9-11-25-12-15(16)18(20-21)17-4-2-3-10-22(17)26(23,24)14-7-5-13(19)6-8-14/h5-8,17H,2-4,9-12H2,1H3/t17-/m0/s1.
What are the key properties of 3-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole?
3-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole has a molecular weight of 379.46 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole is sourced from PubChem (CID 164636987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).