(5-fluoro-1H-indol-2-yl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone

C17H15FN2OS — CID 51934156

IUPAC(5-fluoro-1H-indol-2-yl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
SMILESC[C@@H]1c2ccsc2CCN1C(=O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C17H15FN2OS/c1-10-13-5-7-22-16(13)4-6-20(10)17(21)15-9-11-8-12(18)2-3-14(11)19-15/h2-3,5,7-10,19H,4,6H2,1H3/t10-/m1/s1
InChIKeyFCFFHEYQSCYDKA-SNVBAGLBSA-N
MW314.39 g/mol
LogP4.13
Rot. Bonds1

About (5-fluoro-1H-indol-2-yl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone

(5-fluoro-1H-indol-2-yl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (PubChem CID 51934156) has the molecular formula C17H15FN2OS and a molecular weight of 314.39 g/mol. Its IUPAC name is (5-fluoro-1H-indol-2-yl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-1H-indol-2-yl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
PubChem CID51934156
Molecular FormulaC17H15FN2OS
Molecular Weight314.39 g/mol
Exact Mass314.09
IUPAC Name(5-fluoro-1H-indol-2-yl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
SMILESC[C@@H]1c2ccsc2CCN1C(=O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C17H15FN2OS/c1-10-13-5-7-22-16(13)4-6-20(10)17(21)15-9-11-8-12(18)2-3-14(11)19-15/h2-3,5,7-10,19H,4,6H2,1H3/t10-/m1/s1
InChIKeyFCFFHEYQSCYDKA-SNVBAGLBSA-N
XLogP4.13
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1H-indol-2-yl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The IUPAC name of (5-fluoro-1H-indol-2-yl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (CID 51934156) is (5-fluoro-1H-indol-2-yl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone.
What is the SMILES notation for (5-fluoro-1H-indol-2-yl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The canonical SMILES for (5-fluoro-1H-indol-2-yl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone is C[C@@H]1c2ccsc2CCN1C(=O)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of (5-fluoro-1H-indol-2-yl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The InChIKey is FCFFHEYQSCYDKA-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H15FN2OS/c1-10-13-5-7-22-16(13)4-6-20(10)17(21)15-9-11-8-12(18)2-3-14(11)19-15/h2-3,5,7-10,19H,4,6H2,1H3/t10-/m1/s1.
What are the key properties of (5-fluoro-1H-indol-2-yl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
(5-fluoro-1H-indol-2-yl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone has a molecular weight of 314.39 g/mol, XLogP of 4.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1H-indol-2-yl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone is sourced from PubChem (CID 51934156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).