6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone

C20H19F3N4O2S — CID 86887989

IUPAC6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone
SMILESO=C(c1cc2c(s1)CCOC2)N1CCCC(c2nnc3ccc(C(F)(F)F)cn23)C1
InChIInChI=1S/C20H19F3N4O2S/c21-20(22,23)14-3-4-17-24-25-18(27(17)10-14)12-2-1-6-26(9-12)19(28)16-8-13-11-29-7-5-15(13)30-16/h3-4,8,10,12H,1-2,5-7,9,11H2
InChIKeyAKVNMJNIVREIMG-UHFFFAOYSA-N
MW436.46 g/mol
LogP3.90
Rot. Bonds2

About 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone

6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone (PubChem CID 86887989) has the molecular formula C20H19F3N4O2S and a molecular weight of 436.46 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone
PubChem CID86887989
Molecular FormulaC20H19F3N4O2S
Molecular Weight436.46 g/mol
Exact Mass436.12
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone
SMILESO=C(c1cc2c(s1)CCOC2)N1CCCC(c2nnc3ccc(C(F)(F)F)cn23)C1
InChIInChI=1S/C20H19F3N4O2S/c21-20(22,23)14-3-4-17-24-25-18(27(17)10-14)12-2-1-6-26(9-12)19(28)16-8-13-11-29-7-5-15(13)30-16/h3-4,8,10,12H,1-2,5-7,9,11H2
InChIKeyAKVNMJNIVREIMG-UHFFFAOYSA-N
XLogP3.90
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(2-methylquinolin-3-yl)-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone
CID 86918371
[(5R)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 51926449
N-cyclopropyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide
CID 78828019
6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 95606658
(3R)-3-(2-methylphenyl)-1-[(3R)-3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]butan-1-one
CID 99808632
2-[2-oxo-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]ethoxy]benzonitrile
CID 55526990
[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 39998594
(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone
CID 154857954
6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95286891
(2R)-N-(cyclohexylcarbamoyl)-2-[(3R)-3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide
CID 100850779
6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl(piperazin-1-yl)methanone
CID 82511811
N-(2-methylbutan-2-yl)-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide
CID 78842681

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone (CID 86887989) is 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone is O=C(c1cc2c(s1)CCOC2)N1CCCC(c2nnc3ccc(C(F)(F)F)cn23)C1.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone?
The InChIKey is AKVNMJNIVREIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2S/c21-20(22,23)14-3-4-17-24-25-18(27(17)10-14)12-2-1-6-26(9-12)19(28)16-8-13-11-29-7-5-15(13)30-16/h3-4,8,10,12H,1-2,5-7,9,11H2.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone?
6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone has a molecular weight of 436.46 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 86887989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).