3-[4-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-6-fluoro-1,3-dihydroindol-2-one

C19H20ClFN2OS — CID 11523737

IUPAC3-[4-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-6-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(F)ccc2C1CCCCN1CCc2sc(Cl)cc2C1
InChIInChI=1S/C19H20ClFN2OS/c20-18-9-12-11-23(8-6-17(12)25-18)7-2-1-3-15-14-5-4-13(21)10-16(14)22-19(15)24/h4-5,9-10,15H,1-3,6-8,11H2,(H,22,24)
InChIKeyUYFGDBHEHUQCMZ-UHFFFAOYSA-N
MW378.90 g/mol
LogP4.80
Rot. Bonds5

About 3-[4-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-6-fluoro-1,3-dihydroindol-2-one

3-[4-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-6-fluoro-1,3-dihydroindol-2-one (PubChem CID 11523737) has the molecular formula C19H20ClFN2OS and a molecular weight of 378.90 g/mol. Its IUPAC name is 3-[4-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-6-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[4-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-6-fluoro-1,3-dihydroindol-2-one
PubChem CID11523737
Molecular FormulaC19H20ClFN2OS
Molecular Weight378.90 g/mol
Exact Mass378.10
IUPAC Name3-[4-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-6-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(F)ccc2C1CCCCN1CCc2sc(Cl)cc2C1
InChIInChI=1S/C19H20ClFN2OS/c20-18-9-12-11-23(8-6-17(12)25-18)7-2-1-3-15-14-5-4-13(21)10-16(14)22-19(15)24/h4-5,9-10,15H,1-3,6-8,11H2,(H,22,24)
InChIKeyUYFGDBHEHUQCMZ-UHFFFAOYSA-N
XLogP4.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-3-[4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one;hydrochloride
CID 69093201
6-fluoro-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one;hydrochloride
CID 69114845
3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-1,3-dihydroindol-2-one
CID 11709635
3-[4-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]butyl]-6-fluoro-1,3-dihydroindol-2-one;hydrochloride
CID 69114627
3-[4-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]butyl]-1,3-dihydroindol-2-one
CID 139811513
3-(2-aminoethyl)-6-fluoro-1,3-dihydroindol-2-one;hydrochloride
CID 118162198
3-[4-[4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]butyl]-5-fluoro-1,3-dihydroindol-2-one
CID 11518248
6-fluoro-3-(3-pyrrolidin-1-ylpropylamino)-1,3-dihydroindol-2-one
CID 43203891
5-fluoro-3-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one;dihydrochloride
CID 67837377
5-fluoro-3-nonyl-1,3-dihydroindol-2-one
CID 106987039
(2aS)-2a-[4-(2-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one
CID 12049562
2-[2-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetohydrazide
CID 141166417

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-6-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 3-[4-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-6-fluoro-1,3-dihydroindol-2-one (CID 11523737) is 3-[4-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-6-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[4-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-6-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[4-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-6-fluoro-1,3-dihydroindol-2-one is O=C1Nc2cc(F)ccc2C1CCCCN1CCc2sc(Cl)cc2C1.
What is the InChIKey of 3-[4-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-6-fluoro-1,3-dihydroindol-2-one?
The InChIKey is UYFGDBHEHUQCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2OS/c20-18-9-12-11-23(8-6-17(12)25-18)7-2-1-3-15-14-5-4-13(21)10-16(14)22-19(15)24/h4-5,9-10,15H,1-3,6-8,11H2,(H,22,24).
What are the key properties of 3-[4-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-6-fluoro-1,3-dihydroindol-2-one?
3-[4-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-6-fluoro-1,3-dihydroindol-2-one has a molecular weight of 378.90 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-6-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 11523737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).