3-[4-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

C18H21F3N4O3S — CID 168797552

IUPAC3-[4-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCc1cc(C(F)(F)F)ncc1C1CCN(S(=O)(=O)c2cnn3c2OCCC3)CC1
InChIInChI=1S/C18H21F3N4O3S/c1-12-9-16(18(19,20)21)22-10-14(12)13-3-6-24(7-4-13)29(26,27)15-11-23-25-5-2-8-28-17(15)25/h9-11,13H,2-8H2,1H3
InChIKeyUNXSGEFRSRHHJD-UHFFFAOYSA-N
MW430.45 g/mol
LogP2.96
Rot. Bonds3

About 3-[4-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

3-[4-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (PubChem CID 168797552) has the molecular formula C18H21F3N4O3S and a molecular weight of 430.45 g/mol. Its IUPAC name is 3-[4-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name3-[4-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
PubChem CID168797552
Molecular FormulaC18H21F3N4O3S
Molecular Weight430.45 g/mol
Exact Mass430.13
IUPAC Name3-[4-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCc1cc(C(F)(F)F)ncc1C1CCN(S(=O)(=O)c2cnn3c2OCCC3)CC1
InChIInChI=1S/C18H21F3N4O3S/c1-12-9-16(18(19,20)21)22-10-14(12)13-3-6-24(7-4-13)29(26,27)15-11-23-25-5-2-8-28-17(15)25/h9-11,13H,2-8H2,1H3
InChIKeyUNXSGEFRSRHHJD-UHFFFAOYSA-N
XLogP2.96
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.45
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine with MolForge

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

Launch Full Analysis

Related Compounds

3-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 166332894
3-[(3S,4S)-3-methoxy-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 168797839
6-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylsulfonyl)piperidin-4-yl]-7-methylquinoline
CID 168797909
1-(5-chloro-1-methylpyrazol-4-yl)sulfonyl-4-(2,2,3,3-tetradeuterio-7-methyl-1,4-benzodioxin-6-yl)piperidine
CID 168797722
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-(2,2,3,3-tetradeuterio-7-methyl-1,4-benzodioxin-6-yl)piperidine
CID 168797899
3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 141083368
6-[1-(5-chloro-1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-7-methylimidazo[1,2-a]pyridine
CID 168797578
3-[(9-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)sulfonyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 154787079
3-(4-isoquinolin-4-ylpiperazin-1-yl)sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 128542928
ethane;3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 145221524
7-fluoro-6-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 168797494
3-(S-amino-N-iodothallanylsulfonimidoyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 163411532

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of 3-[4-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (CID 168797552) is 3-[4-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for 3-[4-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for 3-[4-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is Cc1cc(C(F)(F)F)ncc1C1CCN(S(=O)(=O)c2cnn3c2OCCC3)CC1.
What is the InChIKey of 3-[4-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The InChIKey is UNXSGEFRSRHHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O3S/c1-12-9-16(18(19,20)21)22-10-14(12)13-3-6-24(7-4-13)29(26,27)15-11-23-25-5-2-8-28-17(15)25/h9-11,13H,2-8H2,1H3.
What are the key properties of 3-[4-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
3-[4-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine has a molecular weight of 430.45 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 168797552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).