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

C17H18N2OS — CID 93469546

IUPAC2,3-dihydro-1H-indol-5-yl-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
SMILESC[C@@H]1c2ccsc2CCN1C(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C17H18N2OS/c1-11-14-6-9-21-16(14)5-8-19(11)17(20)13-2-3-15-12(10-13)4-7-18-15/h2-3,6,9-11,18H,4-5,7-8H2,1H3/t11-/m1/s1
InChIKeyWJFMQLMGOZCVFX-LLVKDONJSA-N
MW298.41 g/mol
LogP3.48
Rot. Bonds1

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

2,3-dihydro-1H-indol-5-yl-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (PubChem CID 93469546) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-5-yl-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-5-yl-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
PubChem CID93469546
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name2,3-dihydro-1H-indol-5-yl-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
SMILESC[C@@H]1c2ccsc2CCN1C(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C17H18N2OS/c1-11-14-6-9-21-16(14)5-8-19(11)17(20)13-2-3-15-12(10-13)4-7-18-15/h2-3,6,9-11,18H,4-5,7-8H2,1H3/t11-/m1/s1
InChIKeyWJFMQLMGOZCVFX-LLVKDONJSA-N
XLogP3.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Launch Full Analysis

Related Compounds

(4-fluorophenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 18156073
[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-methylphenyl)methanone
CID 8948806
(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4-sulfanylphenyl)methanone
CID 107026703
(3-iodophenyl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 8948818
3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzonitrile
CID 8949305
[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-propan-2-ylphenyl)methanone
CID 8948835
[2-(methylamino)-4-pyridinyl]-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 92584927
(3-methoxyphenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 18156078
(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-pyridin-3-ylmethanone
CID 47120180
[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-nitrophenyl)methanone
CID 8948751
(4-ethoxy-3-methoxyphenyl)-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 8949543
[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 8949501

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-5-yl-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The IUPAC name of 2,3-dihydro-1H-indol-5-yl-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (CID 93469546) is 2,3-dihydro-1H-indol-5-yl-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-5-yl-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-5-yl-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone is C[C@@H]1c2ccsc2CCN1C(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of 2,3-dihydro-1H-indol-5-yl-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The InChIKey is WJFMQLMGOZCVFX-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-11-14-6-9-21-16(14)5-8-19(11)17(20)13-2-3-15-12(10-13)4-7-18-15/h2-3,6,9-11,18H,4-5,7-8H2,1H3/t11-/m1/s1.
What are the key properties of 2,3-dihydro-1H-indol-5-yl-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
2,3-dihydro-1H-indol-5-yl-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone has a molecular weight of 298.41 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-5-yl-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone is sourced from PubChem (CID 93469546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).