1-[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]ethanone;2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine;3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline

C103H88ClF2N21O5 — CID 158571461

IUPAC1-[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]ethanone;2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine;3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline
SMILESCC(=O)C12CCC(c3nc(-c4ccc5c(c4)OCO5)c(-c4cccc(C)n4)[nH]3)(CC1)CC2.Cc1cccc(-c2nn3c(c2-c2ccc(F)cc2)CCC3)n1.Fc1ccc(Cl)cc1-c1nc(Nc2ccncc2)c2nccnc2n1.O=C(NC1CCOCC1)c1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cc1.c1ccc(-c2[nH]ncc2-c2ccnc3ccccc23)nc1
InChIInChI=1S/C26H27N3O3.C25H23N5O2.C18H16FN3.C17H10ClFN6.C17H12N4/c1-16-4-3-5-19(27-16)23-22(18-6-7-20-21(14-18)32-15-31-20)28-24(29-23)26-11-8-25(9-12-26,10-13-26)17(2)30;31-25(29-20-9-13-32-14-10-20)18-6-4-17(5-7-18)23-15-19(8-12-27-23)21-16-28-30-24(21)22-3-1-2-11-26-22;1-12-4-2-5-15(20-12)18-17(13-7-9-14(19)10-8-13)16-6-3-11-22(16)21-18;18-10-1-2-13(19)12(9-10)15-24-16-14(21-7-8-22-16)17(25-15)23-11-3-5-20-6-4-11;1-2-6-15-13(5-1)12(8-10-19-15)14-11-20-21-17(14)16-7-3-4-9-18-16/h3-7,14H,8-13,15H2,1-2H3,(H,28,29);1-8,11-12,15-16,20H,9-10,13-14H2,(H,28,30)(H,29,31);2,4-5,7-10H,3,6,11H2,1H3;1-9H,(H,20,22,23,24,25);1-11H,(H,20,21)
InChIKeyHSDCNAQKWIOOEZ-UHFFFAOYSA-N
MW1773.43 g/mol
LogP21.18
Rot. Bonds16

About 1-[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]ethanone;2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine;3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline

1-[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]ethanone;2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine;3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline (PubChem CID 158571461) has the molecular formula C103H88ClF2N21O5 and a molecular weight of 1773.43 g/mol. Its IUPAC name is 1-[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]ethanone;2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine;3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline.

Molecular Properties

Compound Name1-[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]ethanone;2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine;3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline
PubChem CID158571461
Molecular FormulaC103H88ClF2N21O5
Molecular Weight1773.43 g/mol
Exact Mass1771.69
IUPAC Name1-[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]ethanone;2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine;3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline
SMILESCC(=O)C12CCC(c3nc(-c4ccc5c(c4)OCO5)c(-c4cccc(C)n4)[nH]3)(CC1)CC2.Cc1cccc(-c2nn3c(c2-c2ccc(F)cc2)CCC3)n1.Fc1ccc(Cl)cc1-c1nc(Nc2ccncc2)c2nccnc2n1.O=C(NC1CCOCC1)c1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cc1.c1ccc(-c2[nH]ncc2-c2ccnc3ccccc23)nc1
InChIInChI=1S/C26H27N3O3.C25H23N5O2.C18H16FN3.C17H10ClFN6.C17H12N4/c1-16-4-3-5-19(27-16)23-22(18-6-7-20-21(14-18)32-15-31-20)28-24(29-23)26-11-8-25(9-12-26,10-13-26)17(2)30;31-25(29-20-9-13-32-14-10-20)18-6-4-17(5-7-18)23-15-19(8-12-27-23)21-16-28-30-24(21)22-3-1-2-11-26-22;1-12-4-2-5-15(20-12)18-17(13-7-9-14(19)10-8-13)16-6-3-11-22(16)21-18;18-10-1-2-13(19)12(9-10)15-24-16-14(21-7-8-22-16)17(25-15)23-11-3-5-20-6-4-11;1-2-6-15-13(5-1)12(8-10-19-15)14-11-20-21-17(14)16-7-3-4-9-18-16/h3-7,14H,8-13,15H2,1-2H3,(H,28,29);1-8,11-12,15-16,20H,9-10,13-14H2,(H,28,30)(H,29,31);2,4-5,7-10H,3,6,11H2,1H3;1-9H,(H,20,22,23,24,25);1-11H,(H,20,21)
InChIKeyHSDCNAQKWIOOEZ-UHFFFAOYSA-N
XLogP21.18
TPSA331.54 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds16
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001773.43
LogP ≤ 521.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Analyze 1-[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]ethanone;2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine;3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline with MolForge

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Launch Full Analysis

Related Compounds

2-[2-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;3-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methylpropyl)benzamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone
CID 160746001
N-[(3-chlorophenyl)methyl]-3-[2-oxo-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]benzamide;N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-[2-oxo-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]benzamide;N-[2-(3-methoxyphenyl)ethyl]-3-[2-oxo-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]benzamide;N-[(1-methylbenzimidazol-2-yl)methyl]-3-[2-oxo-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]benzamide;2-[3-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;N-[[(2S)-oxolan-2-yl]methyl]-3-[2-oxo-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]benzamide;3-[2-oxo-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]-N-(2-pyridin-3-ylethyl)benzamide
CID 157269877
4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzamide;3-(6-methyl-2-pyridinyl)-N-phenyl-4-quinolin-4-ylpyrazole-1-carbothioamide;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline
CID 157520197
1-[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]ethanone;1-[4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]phenyl]ethanone;6-[2-tert-butyl-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline;2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine;1-[4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinolin-6-yl]ethanone;hydrochloride
CID 157557281
1-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2-(2-phenyl-1H-imidazo[4,5-b]pyridin-6-yl)ethanone;N-cyclopropyl-4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]benzamide;bis(2-[2-(2,3-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone);1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-[(1-methylcyclobutyl)methoxy]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-phenyl-1H-imidazo[4,5-b]pyridin-6-yl)ethanone;1-(5-methyl-1H-pyrazol-3-yl)-2-(2-phenyl-1H-imidazo[4,5-b]pyridin-6-yl)ethanone
CID 157595754
2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-1H-imidazol-5-yl]-6-methylpyridine;1-[4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]phenyl]ethanone;N,N-dimethyl-3-[4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinolin-7-yl]oxypropan-1-amine;3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;2-[5-(6-methyl-2-pyridinyl)-2H-pyrrol-4-yl]-1,5-naphthyridine;4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline;4-(5-pyridin-2-yl-2H-pyrrol-4-yl)quinoline
CID 158240407
2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-1H-imidazol-5-yl]-6-methylpyridine;N,N-dimethyl-3-[4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinolin-7-yl]oxypropan-1-amine;3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-piperidin-1-ylpropyl)pyrimidin-2-amine;2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline
CID 158313024
3-[[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;3-[[4-amino-3-(3,4-dimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-2-(2-fluorophenyl)-8-methylisoquinolin-1-one;3-[[4-amino-3-(1H-indol-6-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;3-[[4-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one
CID 158490277
5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;7-propan-2-ylisoquinoline;7-propan-2-yl-2H-isoquinolin-1-one;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylpyrido[3,4-d]pyrimidine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;7-propan-2-ylquinazoline;6-propan-2-yl-1H-quinazolin-2-one;7-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1H-quinoxalin-2-one
CID 158497030
2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine;4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide;4-[2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyethyl]morpholine;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline
CID 158739567
1,3-benzodioxol-4-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5-chloro-2-propan-2-yloxyphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(7-fluoro-2,3-dimethylquinoxalin-5-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5-methyl-1H-indazol-7-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 159333715
4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzamide;2-[2-(6-methyl-2-pyridinyl)-2H-pyrrol-3-yl]-1,5-naphthyridine;1-[3-(6-methyl-2-pyridinyl)-4-quinolin-4-ylpyrazol-1-yl]-2-phenylethanethione
CID 159566363

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]ethanone;2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine;3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline?
The IUPAC name of 1-[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]ethanone;2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine;3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline (CID 158571461) is 1-[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]ethanone;2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine;3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline.
What is the SMILES notation for 1-[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]ethanone;2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine;3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline?
The canonical SMILES for 1-[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]ethanone;2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine;3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline is CC(=O)C12CCC(c3nc(-c4ccc5c(c4)OCO5)c(-c4cccc(C)n4)[nH]3)(CC1)CC2.Cc1cccc(-c2nn3c(c2-c2ccc(F)cc2)CCC3)n1.Fc1ccc(Cl)cc1-c1nc(Nc2ccncc2)c2nccnc2n1.O=C(NC1CCOCC1)c1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cc1.c1ccc(-c2[nH]ncc2-c2ccnc3ccccc23)nc1.
What is the InChIKey of 1-[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]ethanone;2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine;3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline?
The InChIKey is HSDCNAQKWIOOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3.C25H23N5O2.C18H16FN3.C17H10ClFN6.C17H12N4/c1-16-4-3-5-19(27-16)23-22(18-6-7-20-21(14-18)32-15-31-20)28-24(29-23)26-11-8-25(9-12-26,10-13-26)17(2)30;31-25(29-20-9-13-32-14-10-20)18-6-4-17(5-7-18)23-15-19(8-12-27-23)21-16-28-30-24(21)22-3-1-2-11-26-22;1-12-4-2-5-15(20-12)18-17(13-7-9-14(19)10-8-13)16-6-3-11-22(16)21-18;18-10-1-2-13(19)12(9-10)15-24-16-14(21-7-8-22-16)17(25-15)23-11-3-5-20-6-4-11;1-2-6-15-13(5-1)12(8-10-19-15)14-11-20-21-17(14)16-7-3-4-9-18-16/h3-7,14H,8-13,15H2,1-2H3,(H,28,29);1-8,11-12,15-16,20H,9-10,13-14H2,(H,28,30)(H,29,31);2,4-5,7-10H,3,6,11H2,1H3;1-9H,(H,20,22,23,24,25);1-11H,(H,20,21).
What are the key properties of 1-[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]ethanone;2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine;3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline?
1-[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]ethanone;2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine;3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline has a molecular weight of 1773.43 g/mol, XLogP of 21.18, 16 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]ethanone;2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine;3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide;4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline is sourced from PubChem (CID 158571461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).