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

C42H32Cl2F2N6O3S2 — CID 160855829

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;(4S)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESFc1ccc([C@@H]2NCCc3sc(Cl)cc32)cc1.O=C(O)c1ccc2nccn2c1.O=C(c1ccc2nccn2c1)N1CCc2sc(Cl)cc2[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C21H15ClFN3OS.C13H11ClFNS.C8H6N2O2/c22-18-11-16-17(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;14-12-7-10-11(17-12)5-6-16-13(10)8-1-3-9(15)4-2-8;11-8(12)6-1-2-7-9-3-4-10(7)5-6/h1-6,8,10-12,20H,7,9H2;1-4,7,13,16H,5-6H2;1-5H,(H,11,12)/t20-;13-;/m00./s1
InChIKeySJVMFCULLPSJOF-STSLMOMBSA-N
MW841.79 g/mol
LogP9.78
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;(4S)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;imidazo[1,2-a]pyridine-6-carboxylic acid

[(4S)-2-chloro-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;(4S)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;imidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 160855829) has the molecular formula C42H32Cl2F2N6O3S2 and a molecular weight of 841.79 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;(4S)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;imidazo[1,2-a]pyridine-6-carboxylic acid.

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;(4S)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;imidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID160855829
Molecular FormulaC42H32Cl2F2N6O3S2
Molecular Weight841.79 g/mol
Exact Mass840.13
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;(4S)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESFc1ccc([C@@H]2NCCc3sc(Cl)cc32)cc1.O=C(O)c1ccc2nccn2c1.O=C(c1ccc2nccn2c1)N1CCc2sc(Cl)cc2[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C21H15ClFN3OS.C13H11ClFNS.C8H6N2O2/c22-18-11-16-17(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;14-12-7-10-11(17-12)5-6-16-13(10)8-1-3-9(15)4-2-8;11-8(12)6-1-2-7-9-3-4-10(7)5-6/h1-6,8,10-12,20H,7,9H2;1-4,7,13,16H,5-6H2;1-5H,(H,11,12)/t20-;13-;/m00./s1
InChIKeySJVMFCULLPSJOF-STSLMOMBSA-N
XLogP9.78
TPSA104.24 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.79
LogP ≤ 59.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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;(4S)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;imidazo[1,2-a]pyridine-6-carboxylic acid with MolForge

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Related Compounds

[2-chloro-4-[4-[2-chloro-4-(3-fluorophenyl)-5-(imidazo[1,2-a]pyridine-6-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-7-yl]-2-fluorophenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
CID 146414431
8-N-[(6-chloro-3-pyridinyl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-N-[(6-phenyl-3-pyridinyl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
CID 157435354
(2-fluoro-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-imidazo[1,2-a]pyridin-6-ylmethanone;2-fluoro-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;imidazo[1,2-a]pyridine-6-carboxylic acid
CID 158278012
[2-chloro-4-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;[2-chloro-4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;[2-fluoro-4-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;[2-fluoro-4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;[2-fluoro-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;(2-fluoro-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-imidazo[1,2-a]pyridin-6-ylmethanone;methane
CID 158332631
[2-chloro-4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;2-chloro-4-(3-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;imidazo[1,2-a]pyridine-6-carboxylic acid;hydrochloride
CID 159434450
[(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
CID 159738899
1-chloro-N,N,2-trimethylprop-1-en-1-amine;2,6-difluoropyridin-3-amine;N-(2,6-difluoro-3-pyridinyl)-1-methyl-3H-pyrrolo[2,3-b]pyridin-1-ium-5-carboxamide;5-fluoro-2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-[1,3]thiazolo[5,4-b]pyridine;1-methyl-3H-pyrrolo[2,3-b]pyridin-1-ium-5-carboxylic acid
CID 160623223
[(4R)-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)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;imidazo[1,2-a]pyridine-6-carboxylic acid
CID 160855828
[2-chloro-4-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;[2-chloro-4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;[2-chloro-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;[2-fluoro-4-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;[2-fluoro-4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;[2-fluoro-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;(2-fluoro-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-imidazo[1,2-a]pyridin-6-ylmethanone
CID 161025730
[2-chloro-4-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;[2-chloro-4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;(2-chloro-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-imidazo[1,2-a]pyridin-6-ylmethanone;[2-fluoro-4-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;[2-fluoro-4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;[2-fluoro-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
CID 161122740
1-chloro-N,N,2-trimethylprop-1-en-1-amine;2,6-difluoropyridin-3-amine;N-(2,6-difluoro-3-pyridinyl)-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide;5-fluoro-2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-[1,3]thiazolo[5,4-b]pyridine;methane;1-methylpyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 161152753
[2-fluoro-4-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;2-fluoro-4-(2-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;imidazo[1,2-a]pyridine-6-carboxylic acid
CID 161770937

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;(4S)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;imidazo[1,2-a]pyridine-6-carboxylic acid?
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;(4S)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;imidazo[1,2-a]pyridine-6-carboxylic acid (CID 160855829) 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;(4S)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;imidazo[1,2-a]pyridine-6-carboxylic acid.
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;(4S)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;imidazo[1,2-a]pyridine-6-carboxylic acid?
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;(4S)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;imidazo[1,2-a]pyridine-6-carboxylic acid is Fc1ccc([C@@H]2NCCc3sc(Cl)cc32)cc1.O=C(O)c1ccc2nccn2c1.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;(4S)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;imidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is SJVMFCULLPSJOF-STSLMOMBSA-N. The full InChI is InChI=1S/C21H15ClFN3OS.C13H11ClFNS.C8H6N2O2/c22-18-11-16-17(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;14-12-7-10-11(17-12)5-6-16-13(10)8-1-3-9(15)4-2-8;11-8(12)6-1-2-7-9-3-4-10(7)5-6/h1-6,8,10-12,20H,7,9H2;1-4,7,13,16H,5-6H2;1-5H,(H,11,12)/t20-;13-;/m00./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;(4S)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;imidazo[1,2-a]pyridine-6-carboxylic acid?
[(4S)-2-chloro-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone;(4S)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;imidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 841.79 g/mol, XLogP of 9.78, 4 rotatable bonds, 2 hydrogen bond donors, and 9 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;(4S)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;imidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 160855829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).