3-[(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)amino]-5-methylthieno[2,3-c]pyridine-2-carbaldehyde

C18H14F2N2OS — CID 177220286

IUPAC3-[(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)amino]-5-methylthieno[2,3-c]pyridine-2-carbaldehyde
SMILESCc1cc2c(NC3CCc4cc(F)c(F)cc43)c(C=O)sc2cn1
InChIInChI=1S/C18H14F2N2OS/c1-9-4-12-16(7-21-9)24-17(8-23)18(12)22-15-3-2-10-5-13(19)14(20)6-11(10)15/h4-8,15,22H,2-3H2,1H3
InChIKeyXJTJGBIVEDXZEM-UHFFFAOYSA-N
MW344.39 g/mol
LogP4.79
Rot. Bonds3

About 3-[(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)amino]-5-methylthieno[2,3-c]pyridine-2-carbaldehyde

3-[(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)amino]-5-methylthieno[2,3-c]pyridine-2-carbaldehyde (PubChem CID 177220286) has the molecular formula C18H14F2N2OS and a molecular weight of 344.39 g/mol. Its IUPAC name is 3-[(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)amino]-5-methylthieno[2,3-c]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-[(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)amino]-5-methylthieno[2,3-c]pyridine-2-carbaldehyde
PubChem CID177220286
Molecular FormulaC18H14F2N2OS
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name3-[(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)amino]-5-methylthieno[2,3-c]pyridine-2-carbaldehyde
SMILESCc1cc2c(NC3CCc4cc(F)c(F)cc43)c(C=O)sc2cn1
InChIInChI=1S/C18H14F2N2OS/c1-9-4-12-16(7-21-9)24-17(8-23)18(12)22-15-3-2-10-5-13(19)14(20)6-11(10)15/h4-8,15,22H,2-3H2,1H3
InChIKeyXJTJGBIVEDXZEM-UHFFFAOYSA-N
XLogP4.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-[(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)amino]-5-methylthieno[2,3-c]pyridine-2-carbaldehyde 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

(E)-1-(3-(1-(hydroxyimino)-2,3-dihydro-1H-inden-5-ylamino)thieno[2,3-c]pyridin-2-yl)butan-1-one
CID 53325830
3-amino-4-methyl-N-[(2,4,5-trifluorophenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 90005328
N-(2,3-dihydro-1H-inden-2-yl)-3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide
CID 140512757
N-(2,3-dihydro-1H-inden-2-yl)-3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide
CID 145846403
2-[7-(3,5-Dimethylphenyl)thieno[2,3-c]pyridin-2-yl]-4,6-difluorobenzaldehyde
CID 164939659
3-(1,3-Dihydroisoindol-2-yl)-4-fluorothieno[2,3-c]pyridine-2-carboxamide
CID 175936758
7-[[(1R)-5,6-difluoro-2,3-dihydro-1H-inden-1-yl]amino]-5-methylthieno[2,3-c]pyridine-2-carbaldehyde
CID 176861071
7-[[(1R)-5,6-difluoro-2,3-dihydro-1H-inden-1-yl]amino]thieno[2,3-c]pyridine-2-carbaldehyde
CID 176861077
7-[[(1R)-6-fluoro-5-isocyano-2,3-dihydro-1H-inden-1-yl]amino]thieno[2,3-c]pyridine-2-carbaldehyde
CID 176861263
7-[[(1R)-5,6-difluoro-2,3-dihydro-1H-inden-1-yl]amino]thieno[3,2-b]pyridine-2-carbaldehyde
CID 178259993
7-[(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)amino]thieno[3,2-b]pyridine-2-carbaldehyde
CID 178722744
3-amino-N-(3-fluoro-2-methylphenyl)thieno[2,3-c]pyridine-2-carboxamide
CID 81753185

Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)amino]-5-methylthieno[2,3-c]pyridine-2-carbaldehyde?
The IUPAC name of 3-[(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)amino]-5-methylthieno[2,3-c]pyridine-2-carbaldehyde (CID 177220286) is 3-[(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)amino]-5-methylthieno[2,3-c]pyridine-2-carbaldehyde.
What is the SMILES notation for 3-[(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)amino]-5-methylthieno[2,3-c]pyridine-2-carbaldehyde?
The canonical SMILES for 3-[(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)amino]-5-methylthieno[2,3-c]pyridine-2-carbaldehyde is Cc1cc2c(NC3CCc4cc(F)c(F)cc43)c(C=O)sc2cn1.
What is the InChIKey of 3-[(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)amino]-5-methylthieno[2,3-c]pyridine-2-carbaldehyde?
The InChIKey is XJTJGBIVEDXZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2OS/c1-9-4-12-16(7-21-9)24-17(8-23)18(12)22-15-3-2-10-5-13(19)14(20)6-11(10)15/h4-8,15,22H,2-3H2,1H3.
What are the key properties of 3-[(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)amino]-5-methylthieno[2,3-c]pyridine-2-carbaldehyde?
3-[(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)amino]-5-methylthieno[2,3-c]pyridine-2-carbaldehyde has a molecular weight of 344.39 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)amino]-5-methylthieno[2,3-c]pyridine-2-carbaldehyde is sourced from PubChem (CID 177220286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).