10a-(4-chlorophenyl)-1-(3-fluoropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(thiadiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(thiophene-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one

C114H86Cl5F7N18O10S3 — CID 160521118

IUPAC10a-(4-chlorophenyl)-1-(3-fluoropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(thiadiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(thiophene-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)N3CCN4C(=O)c5ccccc5CC34c3ccc(Cl)cc3)cs2)n1.Cn1cc(C(=O)N2CCN3C(=O)c4ccccc4CC32c2ccc(Cl)cc2)c(C(F)(F)F)n1.O=C(c1cccs1)N1CCN2C(=O)c3ccccc3CC12c1ccc(Cl)cc1.O=C(c1ccncc1F)N1CCN2C(=O)c3ccccc3CC12c1ccc(Cl)cc1.O=C(c1csnn1)N1CCN2C(=O)c3ccccc3CC12c1ccc(Cl)cc1
InChIInChI=1S/C26H19ClF3N5O2S.C23H18ClF3N4O2.C23H17ClFN3O2.C22H17ClN2O2S.C20H15ClN4O2S/c1-15-12-21(26(28,29)30)35(32-15)24-31-20(14-38-24)23(37)34-11-10-33-22(36)19-5-3-2-4-16(19)13-25(33,34)17-6-8-18(27)9-7-17;1-29-13-18(19(28-29)23(25,26)27)21(33)31-11-10-30-20(32)17-5-3-2-4-14(17)12-22(30,31)15-6-8-16(24)9-7-15;24-17-7-5-16(6-8-17)23-13-15-3-1-2-4-18(15)21(29)27(23)11-12-28(23)22(30)19-9-10-26-14-20(19)25;23-17-9-7-16(8-10-17)22-14-15-4-1-2-5-18(15)20(26)24(22)11-12-25(22)21(27)19-6-3-13-28-19;21-15-7-5-14(6-8-15)20-11-13-3-1-2-4-16(13)18(26)24(20)9-10-25(20)19(27)17-12-28-23-22-17/h2-9,12,14H,10-11,13H2,1H3;2-9,13H,10-12H2,1H3;1-10,14H,11-13H2;1-10,13H,11-12,14H2;1-8,12H,9-11H2
InChIKeyQUGWMLACXWETFA-UHFFFAOYSA-N
MW2274.51 g/mol
LogP20.91
Rot. Bonds11

About 10a-(4-chlorophenyl)-1-(3-fluoropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(thiadiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(thiophene-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one

10a-(4-chlorophenyl)-1-(3-fluoropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(thiadiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(thiophene-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one (PubChem CID 160521118) has the molecular formula C114H86Cl5F7N18O10S3 and a molecular weight of 2274.51 g/mol. Its IUPAC name is 10a-(4-chlorophenyl)-1-(3-fluoropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(thiadiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(thiophene-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one.

Molecular Properties

Compound Name10a-(4-chlorophenyl)-1-(3-fluoropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(thiadiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(thiophene-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one
PubChem CID160521118
Molecular FormulaC114H86Cl5F7N18O10S3
Molecular Weight2274.51 g/mol
Exact Mass2270.43
IUPAC Name10a-(4-chlorophenyl)-1-(3-fluoropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(thiadiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(thiophene-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)N3CCN4C(=O)c5ccccc5CC34c3ccc(Cl)cc3)cs2)n1.Cn1cc(C(=O)N2CCN3C(=O)c4ccccc4CC32c2ccc(Cl)cc2)c(C(F)(F)F)n1.O=C(c1cccs1)N1CCN2C(=O)c3ccccc3CC12c1ccc(Cl)cc1.O=C(c1ccncc1F)N1CCN2C(=O)c3ccccc3CC12c1ccc(Cl)cc1.O=C(c1csnn1)N1CCN2C(=O)c3ccccc3CC12c1ccc(Cl)cc1
InChIInChI=1S/C26H19ClF3N5O2S.C23H18ClF3N4O2.C23H17ClFN3O2.C22H17ClN2O2S.C20H15ClN4O2S/c1-15-12-21(26(28,29)30)35(32-15)24-31-20(14-38-24)23(37)34-11-10-33-22(36)19-5-3-2-4-16(19)13-25(33,34)17-6-8-18(27)9-7-17;1-29-13-18(19(28-29)23(25,26)27)21(33)31-11-10-30-20(32)17-5-3-2-4-14(17)12-22(30,31)15-6-8-16(24)9-7-15;24-17-7-5-16(6-8-17)23-13-15-3-1-2-4-18(15)21(29)27(23)11-12-28(23)22(30)19-9-10-26-14-20(19)25;23-17-9-7-16(8-10-17)22-14-15-4-1-2-5-18(15)20(26)24(22)11-12-25(22)21(27)19-6-3-13-28-19;21-15-7-5-14(6-8-15)20-11-13-3-1-2-4-16(13)18(26)24(20)9-10-25(20)19(27)17-12-28-23-22-17/h2-9,12,14H,10-11,13H2,1H3;2-9,13H,10-12H2,1H3;1-10,14H,11-13H2;1-10,13H,11-12,14H2;1-8,12H,9-11H2
InChIKeyQUGWMLACXWETFA-UHFFFAOYSA-N
XLogP20.91
TPSA290.30 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds11
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002274.51
LogP ≤ 520.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 10a-(4-chlorophenyl)-1-(3-fluoropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(thiadiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(thiophene-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one with MolForge

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Related Compounds

10a-(4-chlorophenyl)-1-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one
CID 59156885
10a-(4-chlorophenyl)-1-[2-[5-(1,1-difluoroethyl)-3-methylpyrazol-1-yl]-1,3-thiazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one
CID 129212497
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-chloro-2-methyl-4-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-fluoro-5-methyl-2-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 157742918
10a-(4-chlorophenyl)-1-(6-methylpyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-(6-methylpyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[2,1-g][1,7]naphthyridin-5-one;10a-(4-chlorophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;1-(4-chloro-5-methyl-1,2-thiazole-3-carbonyl)-10a-(4-chlorophenyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one
CID 158097562
CID 158566393
CID 158566393
4-chloro-N-(4-chlorophenyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methylphenyl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(6-methyl-2-pyridinyl)methyl]-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(6-methyl-2-pyridinyl)methyl]-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;3,4-dichloro-N-(4-methylphenyl)-1-(pyridin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 158946081
N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
CID 160397108
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,5-dichloro-4-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 160478617
N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
CID 161906674
[4-[[2-(4-Chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-2-yl)methanone
CID 158134411
(5-chloro-3-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(6-chloro-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2,3-difluorophenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5-ethylthiophen-2-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 159973326
2-[[8-(3-acetylpyrazole-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-4-chlorobenzamide;1-[1-[(2R)-4-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyridin-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone
CID 160662994

Frequently Asked Questions

What is the IUPAC name of 10a-(4-chlorophenyl)-1-(3-fluoropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(thiadiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(thiophene-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one?
The IUPAC name of 10a-(4-chlorophenyl)-1-(3-fluoropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(thiadiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(thiophene-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one (CID 160521118) is 10a-(4-chlorophenyl)-1-(3-fluoropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(thiadiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(thiophene-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one.
What is the SMILES notation for 10a-(4-chlorophenyl)-1-(3-fluoropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(thiadiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(thiophene-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one?
The canonical SMILES for 10a-(4-chlorophenyl)-1-(3-fluoropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(thiadiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(thiophene-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one is Cc1cc(C(F)(F)F)n(-c2nc(C(=O)N3CCN4C(=O)c5ccccc5CC34c3ccc(Cl)cc3)cs2)n1.Cn1cc(C(=O)N2CCN3C(=O)c4ccccc4CC32c2ccc(Cl)cc2)c(C(F)(F)F)n1.O=C(c1cccs1)N1CCN2C(=O)c3ccccc3CC12c1ccc(Cl)cc1.O=C(c1ccncc1F)N1CCN2C(=O)c3ccccc3CC12c1ccc(Cl)cc1.O=C(c1csnn1)N1CCN2C(=O)c3ccccc3CC12c1ccc(Cl)cc1.
What is the InChIKey of 10a-(4-chlorophenyl)-1-(3-fluoropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(thiadiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(thiophene-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one?
The InChIKey is QUGWMLACXWETFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClF3N5O2S.C23H18ClF3N4O2.C23H17ClFN3O2.C22H17ClN2O2S.C20H15ClN4O2S/c1-15-12-21(26(28,29)30)35(32-15)24-31-20(14-38-24)23(37)34-11-10-33-22(36)19-5-3-2-4-16(19)13-25(33,34)17-6-8-18(27)9-7-17;1-29-13-18(19(28-29)23(25,26)27)21(33)31-11-10-30-20(32)17-5-3-2-4-14(17)12-22(30,31)15-6-8-16(24)9-7-15;24-17-7-5-16(6-8-17)23-13-15-3-1-2-4-18(15)21(29)27(23)11-12-28(23)22(30)19-9-10-26-14-20(19)25;23-17-9-7-16(8-10-17)22-14-15-4-1-2-5-18(15)20(26)24(22)11-12-25(22)21(27)19-6-3-13-28-19;21-15-7-5-14(6-8-15)20-11-13-3-1-2-4-16(13)18(26)24(20)9-10-25(20)19(27)17-12-28-23-22-17/h2-9,12,14H,10-11,13H2,1H3;2-9,13H,10-12H2,1H3;1-10,14H,11-13H2;1-10,13H,11-12,14H2;1-8,12H,9-11H2.
What are the key properties of 10a-(4-chlorophenyl)-1-(3-fluoropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(thiadiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(thiophene-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one?
10a-(4-chlorophenyl)-1-(3-fluoropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(thiadiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(thiophene-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one has a molecular weight of 2274.51 g/mol, XLogP of 20.91, 11 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 10a-(4-chlorophenyl)-1-(3-fluoropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(thiadiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(thiophene-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one is sourced from PubChem (CID 160521118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).