(3,3-difluoropiperidin-1-yl)-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone;methane

C17H22F2N2OS — CID 158430581

IUPAC(3,3-difluoropiperidin-1-yl)-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone;methane
SMILESC.Cc1cc(C)c2c(C)c(C(=O)N3CCCC(F)(F)C3)sc2n1
InChIInChI=1S/C16H18F2N2OS.CH4/c1-9-7-10(2)19-14-12(9)11(3)13(22-14)15(21)20-6-4-5-16(17,18)8-20;/h7H,4-6,8H2,1-3H3;1H4
InChIKeyHBPLQPUKUOCQQF-UHFFFAOYSA-N
MW340.44 g/mol
LogP4.73
Rot. Bonds1

About (3,3-difluoropiperidin-1-yl)-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone;methane

(3,3-difluoropiperidin-1-yl)-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone;methane (PubChem CID 158430581) has the molecular formula C17H22F2N2OS and a molecular weight of 340.44 g/mol. Its IUPAC name is (3,3-difluoropiperidin-1-yl)-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone;methane.

Molecular Properties

Compound Name(3,3-difluoropiperidin-1-yl)-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone;methane
PubChem CID158430581
Molecular FormulaC17H22F2N2OS
Molecular Weight340.44 g/mol
Exact Mass340.14
IUPAC Name(3,3-difluoropiperidin-1-yl)-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone;methane
SMILESC.Cc1cc(C)c2c(C)c(C(=O)N3CCCC(F)(F)C3)sc2n1
InChIInChI=1S/C16H18F2N2OS.CH4/c1-9-7-10(2)19-14-12(9)11(3)13(22-14)15(21)20-6-4-5-16(17,18)8-20;/h7H,4-6,8H2,1-3H3;1H4
InChIKeyHBPLQPUKUOCQQF-UHFFFAOYSA-N
XLogP4.73
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3,3-difluoropiperidin-1-yl)-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone;methane with MolForge

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Related Compounds

[4-(thiophen-3-ylmethyl)piperazin-1-yl]-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone
CID 24643480
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone
CID 37279499
(3,3-difluoropiperidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
CID 145336249
(3,3-difluoropiperidin-1-yl)-[4,5-di(propan-2-yl)thiophen-2-yl]methanone
CID 155457670
[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone
CID 24610069
azepan-1-yl-(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methanone
CID 43043987
(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 23943369
(4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)-morpholin-4-ylmethanone
CID 17395345
3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;hydrochloride
CID 43810775
(3-bromo-5-methyl-2-pyridinyl)-(3,3-difluoropyrrolidin-1-yl)methanone
CID 168679949
N-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-4-fluorobenzamide
CID 17446260
(4-amino-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 75448095

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropiperidin-1-yl)-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone;methane?
The IUPAC name of (3,3-difluoropiperidin-1-yl)-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone;methane (CID 158430581) is (3,3-difluoropiperidin-1-yl)-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone;methane.
What is the SMILES notation for (3,3-difluoropiperidin-1-yl)-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone;methane?
The canonical SMILES for (3,3-difluoropiperidin-1-yl)-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone;methane is C.Cc1cc(C)c2c(C)c(C(=O)N3CCCC(F)(F)C3)sc2n1.
What is the InChIKey of (3,3-difluoropiperidin-1-yl)-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone;methane?
The InChIKey is HBPLQPUKUOCQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2OS.CH4/c1-9-7-10(2)19-14-12(9)11(3)13(22-14)15(21)20-6-4-5-16(17,18)8-20;/h7H,4-6,8H2,1-3H3;1H4.
What are the key properties of (3,3-difluoropiperidin-1-yl)-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone;methane?
(3,3-difluoropiperidin-1-yl)-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone;methane has a molecular weight of 340.44 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropiperidin-1-yl)-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone;methane is sourced from PubChem (CID 158430581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).