1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]ethanone;4-[2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]acetyl]-1-(4-fluoro-2-pyridinyl)piperazin-2-one;4-[2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]acetyl]-1-pyridin-2-ylpiperazin-2-one;N-[6-[2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]acetyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide

C105H93F7N20O7S2 — CID 158499934

IUPAC1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]ethanone;4-[2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]acetyl]-1-(4-fluoro-2-pyridinyl)piperazin-2-one;4-[2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]acetyl]-1-pyridin-2-ylpiperazin-2-one;N-[6-[2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]acetyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide
SMILESCC(=O)Nc1nc2c(s1)CCN(C(=O)Cn1cc(-c3ccc(F)c(C)c3)nc1-c1ccccc1)CC2.Cc1cc(-c2cn(CC(=O)N3CCN(c4cc(F)ccn4)C(=O)C3)c(-c3ccc(F)cc3)n2)ccc1F.Cc1cc(-c2cn(CC(=O)N3CCN(c4ccccn4)C(=O)C3)c(-c3ccc(F)cc3)n2)ccc1F.Cc1cc(-c2cn(CC(=O)N3CCc4nc(N)sc4C3)c(-c3ccccc3)n2)ccc1F
InChIInChI=1S/C27H22F3N5O2.C27H23F2N5O2.C27H26FN5O2S.C24H22FN5OS/c1-17-12-19(4-7-22(17)30)23-14-34(27(32-23)18-2-5-20(28)6-3-18)15-25(36)33-10-11-35(26(37)16-33)24-13-21(29)8-9-31-24;1-18-14-20(7-10-22(18)29)23-15-33(27(31-23)19-5-8-21(28)9-6-19)16-25(35)32-12-13-34(26(36)17-32)24-4-2-3-11-30-24;1-17-14-20(8-9-21(17)28)23-15-33(26(30-23)19-6-4-3-5-7-19)16-25(35)32-12-10-22-24(11-13-32)36-27(31-22)29-18(2)34;1-15-11-17(7-8-18(15)25)20-12-30(23(27-20)16-5-3-2-4-6-16)14-22(31)29-10-9-19-21(13-29)32-24(26)28-19/h2-9,12-14H,10-11,15-16H2,1H3;2-11,14-15H,12-13,16-17H2,1H3;3-9,14-15H,10-13,16H2,1-2H3,(H,29,31,34);2-8,11-12H,9-10,13-14H2,1H3,(H2,26,28)
InChIKeyHJTMSCAPOFOYKX-UHFFFAOYSA-N
MW1944.15 g/mol
LogP17.28
Rot. Bonds19

About 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]ethanone;4-[2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]acetyl]-1-(4-fluoro-2-pyridinyl)piperazin-2-one;4-[2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]acetyl]-1-pyridin-2-ylpiperazin-2-one;N-[6-[2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]acetyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide

1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]ethanone;4-[2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]acetyl]-1-(4-fluoro-2-pyridinyl)piperazin-2-one;4-[2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]acetyl]-1-pyridin-2-ylpiperazin-2-one;N-[6-[2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]acetyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide (PubChem CID 158499934) has the molecular formula C105H93F7N20O7S2 and a molecular weight of 1944.15 g/mol. Its IUPAC name is 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]ethanone;4-[2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]acetyl]-1-(4-fluoro-2-pyridinyl)piperazin-2-one;4-[2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]acetyl]-1-pyridin-2-ylpiperazin-2-one;N-[6-[2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]acetyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide.

Molecular Properties

Compound Name1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]ethanone;4-[2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]acetyl]-1-(4-fluoro-2-pyridinyl)piperazin-2-one;4-[2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]acetyl]-1-pyridin-2-ylpiperazin-2-one;N-[6-[2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]acetyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide
PubChem CID158499934
Molecular FormulaC105H93F7N20O7S2
Molecular Weight1944.15 g/mol
Exact Mass1942.69
IUPAC Name1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]ethanone;4-[2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]acetyl]-1-(4-fluoro-2-pyridinyl)piperazin-2-one;4-[2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]acetyl]-1-pyridin-2-ylpiperazin-2-one;N-[6-[2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]acetyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide
SMILESCC(=O)Nc1nc2c(s1)CCN(C(=O)Cn1cc(-c3ccc(F)c(C)c3)nc1-c1ccccc1)CC2.Cc1cc(-c2cn(CC(=O)N3CCN(c4cc(F)ccn4)C(=O)C3)c(-c3ccc(F)cc3)n2)ccc1F.Cc1cc(-c2cn(CC(=O)N3CCN(c4ccccn4)C(=O)C3)c(-c3ccc(F)cc3)n2)ccc1F.Cc1cc(-c2cn(CC(=O)N3CCc4nc(N)sc4C3)c(-c3ccccc3)n2)ccc1F
InChIInChI=1S/C27H22F3N5O2.C27H23F2N5O2.C27H26FN5O2S.C24H22FN5OS/c1-17-12-19(4-7-22(17)30)23-14-34(27(32-23)18-2-5-20(28)6-3-18)15-25(36)33-10-11-35(26(37)16-33)24-13-21(29)8-9-31-24;1-18-14-20(7-10-22(18)29)23-15-33(27(31-23)19-5-8-21(28)9-6-19)16-25(35)32-12-13-34(26(36)17-32)24-4-2-3-11-30-24;1-17-14-20(8-9-21(17)28)23-15-33(26(30-23)19-6-4-3-5-7-19)16-25(35)32-12-10-22-24(11-13-32)36-27(31-22)29-18(2)34;1-15-11-17(7-8-18(15)25)20-12-30(23(27-20)16-5-3-2-4-6-16)14-22(31)29-10-9-19-21(13-29)32-24(26)28-19/h2-9,12-14H,10-11,15-16H2,1H3;2-11,14-15H,12-13,16-17H2,1H3;3-9,14-15H,10-13,16H2,1-2H3,(H,29,31,34);2-8,11-12H,9-10,13-14H2,1H3,(H2,26,28)
InChIKeyHJTMSCAPOFOYKX-UHFFFAOYSA-N
XLogP17.28
TPSA299.82 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds19
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001944.15
LogP ≤ 517.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Analyze 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]ethanone;4-[2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]acetyl]-1-(4-fluoro-2-pyridinyl)piperazin-2-one;4-[2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]acetyl]-1-pyridin-2-ylpiperazin-2-one;N-[6-[2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]acetyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide with MolForge

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Related Compounds

6-(4-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;N-[2-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;7-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrimidin-2-amine;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 157193776
1-[4-[2-[3,5-Bis(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]piperidin-1-yl]-2-imidazo[4,5-c]pyridin-1-ylethanone;1-[4-[2-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]piperidin-1-yl]-2-imidazo[4,5-c]pyridin-3-ylethanone;methane
CID 157674150
(9S)-5-[2-(dimethylamino)-4-pyridinyl]-N-pyridin-2-yl-1,4,6,8-tetrazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide;(9S)-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-[3-(trifluoromethyl)phenyl]-1,4,6,8-tetrazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide;(9S)-3-methyl-5-(2-methyl-4-pyridinyl)-N-pyridin-2-yl-1,4,6,8-tetrazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide;(9S)-3-methyl-5-(6-methyl-3-pyridinyl)-N-pyridin-2-yl-1,4,6,8-tetrazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide
CID 158475785
2-(8-cyclopropyl-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-(1,3-diethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-[8-(dimethylamino)-1,3-dimethyl-2,6-dioxopurin-7-yl]-N-(4-thiophen-3-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxo-8-phenylpurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-[1,3-dimethyl-2,6-dioxo-8-(trifluoromethyl)purin-7-yl]-N-(4-thiophen-3-ylphenyl)acetamide;2-(2,6-dioxo-3H-purin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;N-[4-(1,3-thiazol-2-yl)phenyl]-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)propanamide
CID 158591116
(2S)-N-[6-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]pyrazin-2-yl]-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-[3-methyl-2,6-dioxo-1-(2,2,2-trifluoroethyl)purin-7-yl]propanamide;(2S)-N-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-[3-methyl-2,6-dioxo-1-(3,3,3-trifluoropropyl)purin-7-yl]propanamide;N-[6-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-2-pyridinyl]-2-[3,8-dimethyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;2-[3,8-dimethyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]-N-[6-(4-fluoro-3-methylphenyl)-2-pyridinyl]acetamide
CID 158692632
N-(8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinolin-2-yl)acetamide;N-[8-[2-(1,1-difluoroethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide;N-[8-(3-fluoro-2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide;bis(N-[8-(2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide)
CID 158936616
N-[(6S,9R)-6-(2,3-difluorophenyl)-3-ethyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-2-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 158987514
6-fluoro-1,3-benzothiazol-2-amine;(9S)-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-[3-(trifluoromethyl)phenyl]-1,4,6,8-tetrazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide;(9S)-5-[3-(trifluoromethyl)phenyl]-1,4,6,8-tetrazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 159519587
N-cyclooctyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[[3-(1,1-difluoroethyl)phenyl]methyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2,3-difluoro-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylcyclohexyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 159999777
2-(8-cyclopropyl-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-(1,3-diethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-[8-(dimethylamino)-1,3-dimethyl-2,6-dioxopurin-7-yl]-N-(4-thiophen-3-ylphenyl)acetamide;2-[1,3-dimethyl-2,6-dioxo-8-(trifluoromethyl)purin-7-yl]-N-(4-thiophen-3-ylphenyl)acetamide;1,3-dimethyl-8-phenyl-7-[2-(4-thiophen-3-ylanilino)ethyl]purine-2,6-dione;2-(2,6-dioxo-3H-purin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;N-[4-(1,3-thiazol-2-yl)phenyl]-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)propanamide
CID 160386005
2-[[6-[2-[1-[2-[3-[5-[2-[[6-[2-[1-[2-(Azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-5-cyano-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 163239588
2-[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]piperazin-1-yl]-N-pyridin-2-ylacetamide;2-[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide;8-(4-fluorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-7H-purin-2-amine
CID 87282611

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]ethanone;4-[2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]acetyl]-1-(4-fluoro-2-pyridinyl)piperazin-2-one;4-[2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]acetyl]-1-pyridin-2-ylpiperazin-2-one;N-[6-[2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]acetyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide?
The IUPAC name of 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]ethanone;4-[2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]acetyl]-1-(4-fluoro-2-pyridinyl)piperazin-2-one;4-[2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]acetyl]-1-pyridin-2-ylpiperazin-2-one;N-[6-[2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]acetyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide (CID 158499934) is 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]ethanone;4-[2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]acetyl]-1-(4-fluoro-2-pyridinyl)piperazin-2-one;4-[2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]acetyl]-1-pyridin-2-ylpiperazin-2-one;N-[6-[2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]acetyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide.
What is the SMILES notation for 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]ethanone;4-[2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]acetyl]-1-(4-fluoro-2-pyridinyl)piperazin-2-one;4-[2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]acetyl]-1-pyridin-2-ylpiperazin-2-one;N-[6-[2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]acetyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide?
The canonical SMILES for 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]ethanone;4-[2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]acetyl]-1-(4-fluoro-2-pyridinyl)piperazin-2-one;4-[2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]acetyl]-1-pyridin-2-ylpiperazin-2-one;N-[6-[2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]acetyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide is CC(=O)Nc1nc2c(s1)CCN(C(=O)Cn1cc(-c3ccc(F)c(C)c3)nc1-c1ccccc1)CC2.Cc1cc(-c2cn(CC(=O)N3CCN(c4cc(F)ccn4)C(=O)C3)c(-c3ccc(F)cc3)n2)ccc1F.Cc1cc(-c2cn(CC(=O)N3CCN(c4ccccn4)C(=O)C3)c(-c3ccc(F)cc3)n2)ccc1F.Cc1cc(-c2cn(CC(=O)N3CCc4nc(N)sc4C3)c(-c3ccccc3)n2)ccc1F.
What is the InChIKey of 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]ethanone;4-[2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]acetyl]-1-(4-fluoro-2-pyridinyl)piperazin-2-one;4-[2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]acetyl]-1-pyridin-2-ylpiperazin-2-one;N-[6-[2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]acetyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide?
The InChIKey is HJTMSCAPOFOYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F3N5O2.C27H23F2N5O2.C27H26FN5O2S.C24H22FN5OS/c1-17-12-19(4-7-22(17)30)23-14-34(27(32-23)18-2-5-20(28)6-3-18)15-25(36)33-10-11-35(26(37)16-33)24-13-21(29)8-9-31-24;1-18-14-20(7-10-22(18)29)23-15-33(27(31-23)19-5-8-21(28)9-6-19)16-25(35)32-12-13-34(26(36)17-32)24-4-2-3-11-30-24;1-17-14-20(8-9-21(17)28)23-15-33(26(30-23)19-6-4-3-5-7-19)16-25(35)32-12-10-22-24(11-13-32)36-27(31-22)29-18(2)34;1-15-11-17(7-8-18(15)25)20-12-30(23(27-20)16-5-3-2-4-6-16)14-22(31)29-10-9-19-21(13-29)32-24(26)28-19/h2-9,12-14H,10-11,15-16H2,1H3;2-11,14-15H,12-13,16-17H2,1H3;3-9,14-15H,10-13,16H2,1-2H3,(H,29,31,34);2-8,11-12H,9-10,13-14H2,1H3,(H2,26,28).
What are the key properties of 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]ethanone;4-[2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]acetyl]-1-(4-fluoro-2-pyridinyl)piperazin-2-one;4-[2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]acetyl]-1-pyridin-2-ylpiperazin-2-one;N-[6-[2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]acetyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide?
1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]ethanone;4-[2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]acetyl]-1-(4-fluoro-2-pyridinyl)piperazin-2-one;4-[2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]acetyl]-1-pyridin-2-ylpiperazin-2-one;N-[6-[2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]acetyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide has a molecular weight of 1944.15 g/mol, XLogP of 17.28, 19 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]ethanone;4-[2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]acetyl]-1-(4-fluoro-2-pyridinyl)piperazin-2-one;4-[2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]acetyl]-1-pyridin-2-ylpiperazin-2-one;N-[6-[2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]acetyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide is sourced from PubChem (CID 158499934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).