[(4S)-2-chloro-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;[(4R)-2-chloro-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;methane

C44H38Cl2F2N6O2S2 — CID 162095294

IUPAC[(4S)-2-chloro-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;[(4R)-2-chloro-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;methane
SMILESC.C.O=C(c1ccc2nccn2c1)N1CCc2sc(Cl)cc2[C@@H]1c1ccc(F)cc1.O=C(c1ccc2nccn2c1)N1CCc2sc(Cl)cc2[C@H]1c1ccc(F)cc1
InChIInChI=1S/2C21H15ClFN3OS.2CH4/c2*22-18-11-16-17(28-18)7-9-26(20(16)13-1-4-15(23)5-2-13)21(27)14-3-6-19-24-8-10-25(19)12-14;;/h2*1-6,8,10-12,20H,7,9H2;2*1H4/t2*20-;;/m10../s1
InChIKeyZEDZUJQPEXISIV-FCXQHQNUSA-N
MW855.86 g/mol
LogP11.22
Rot. Bonds4

About [(4S)-2-chloro-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;[(4R)-2-chloro-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;methane

[(4S)-2-chloro-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;[(4R)-2-chloro-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;methane (PubChem CID 162095294) has the molecular formula C44H38Cl2F2N6O2S2 and a molecular weight of 855.86 g/mol. Its IUPAC name is [(4S)-2-chloro-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;[(4R)-2-chloro-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;methane.

Molecular Properties

Compound Name[(4S)-2-chloro-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;[(4R)-2-chloro-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;methane
PubChem CID162095294
Molecular FormulaC44H38Cl2F2N6O2S2
Molecular Weight855.86 g/mol
Exact Mass854.18
IUPAC Name[(4S)-2-chloro-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;[(4R)-2-chloro-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;methane
SMILESC.C.O=C(c1ccc2nccn2c1)N1CCc2sc(Cl)cc2[C@@H]1c1ccc(F)cc1.O=C(c1ccc2nccn2c1)N1CCc2sc(Cl)cc2[C@H]1c1ccc(F)cc1
InChIInChI=1S/2C21H15ClFN3OS.2CH4/c2*22-18-11-16-17(28-18)7-9-26(20(16)13-1-4-15(23)5-2-13)21(27)14-3-6-19-24-8-10-25(19)12-14;;/h2*1-6,8,10-12,20H,7,9H2;2*1H4/t2*20-;;/m10../s1
InChIKeyZEDZUJQPEXISIV-FCXQHQNUSA-N
XLogP11.22
TPSA75.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.86
LogP ≤ 511.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [(4S)-2-chloro-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;[(4R)-2-chloro-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;methane with MolForge

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Related Compounds

US10030016, Example 2.7
CID 68161204
1-{[2-(4-Chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-A]pyridin-3-YL]methyl}-4-(thiophene-2-carbonyl)piperazine
CID 83286727
1-{[6-(3-Chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-A]pyridin-3-YL]methyl}-4-(thiophene-2-carbonyl)piperazine
CID 83290342
[3-[[4-(4-Fluorophenyl)piperidin-1-yl]methyl]-4-thiophen-3-ylpyrrolidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone
CID 20694377
N-[1-(4-fluorophenyl)ethyl]-2-[(5-imidazo[1,2-a]pyridin-6-ylthiophen-2-yl)methylamino]pyridine-3-carboxamide
CID 68161207
[2-chloro-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
CID 132250722
[(4R)-2-chloro-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
CID 132250726
[(4S)-2-chloro-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
CID 132250728
(2-fluoro-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-imidazo[1,2-a]pyridin-6-ylmethanone
CID 132250970
[2-chloro-4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
CID 132250971
[2-fluoro-4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
CID 132250972
[2-chloro-4-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
CID 132250973

Frequently Asked Questions

What is the IUPAC name of [(4S)-2-chloro-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;[(4R)-2-chloro-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;methane?
The IUPAC name of [(4S)-2-chloro-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;[(4R)-2-chloro-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;methane (CID 162095294) is [(4S)-2-chloro-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;[(4R)-2-chloro-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;methane.
What is the SMILES notation for [(4S)-2-chloro-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;[(4R)-2-chloro-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;methane?
The canonical SMILES for [(4S)-2-chloro-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;[(4R)-2-chloro-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;methane is C.C.O=C(c1ccc2nccn2c1)N1CCc2sc(Cl)cc2[C@@H]1c1ccc(F)cc1.O=C(c1ccc2nccn2c1)N1CCc2sc(Cl)cc2[C@H]1c1ccc(F)cc1.
What is the InChIKey of [(4S)-2-chloro-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;[(4R)-2-chloro-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;methane?
The InChIKey is ZEDZUJQPEXISIV-FCXQHQNUSA-N. The full InChI is InChI=1S/2C21H15ClFN3OS.2CH4/c2*22-18-11-16-17(28-18)7-9-26(20(16)13-1-4-15(23)5-2-13)21(27)14-3-6-19-24-8-10-25(19)12-14;;/h2*1-6,8,10-12,20H,7,9H2;2*1H4/t2*20-;;/m10../s1.
What are the key properties of [(4S)-2-chloro-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;[(4R)-2-chloro-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;methane?
[(4S)-2-chloro-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;[(4R)-2-chloro-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;methane has a molecular weight of 855.86 g/mol, XLogP of 11.22, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-2-chloro-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;[(4R)-2-chloro-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;methane is sourced from PubChem (CID 162095294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).