4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-imidazol-1-ylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-(1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]oxane-4-carboxamide;4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide

C127H119N27O12S2 — CID 161476257

IUPAC4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-imidazol-1-ylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-(1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]oxane-4-carboxamide;4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc6c(c5)CCN6)cc4)CCOCC3)nc2)cs1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(-c5cnco5)cc4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(-c5csnn5)cc4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(-n5ccnc5)cc4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4cccc(-c5cnco5)c4)CCOCC3)cc2)cn1
InChIInChI=1S/C28H27N5O2S.C25H24N6O2.2C25H23N5O3.C24H22N6O2S/c1-18-32-24(17-36-18)21-4-7-25(30-15-21)33-27(34)28(9-12-35-13-10-28)23-5-2-19(3-6-23)22-14-20-8-11-29-26(20)31-16-22;26-24-28-15-19(16-29-24)18-1-3-20(4-2-18)25(9-13-33-14-10-25)23(32)30-21-5-7-22(8-6-21)31-12-11-27-17-31;26-24-28-13-19(14-29-24)17-1-5-20(6-2-17)25(9-11-32-12-10-25)23(31)30-21-7-3-18(4-8-21)22-15-27-16-33-22;26-24-28-13-19(14-29-24)17-4-6-20(7-5-17)25(8-10-32-11-9-25)23(31)30-21-3-1-2-18(12-21)22-15-27-16-33-22;25-23-26-13-18(14-27-23)16-1-5-19(6-2-16)24(9-11-32-12-10-24)22(31)28-20-7-3-17(4-8-20)21-15-33-30-29-21/h2-7,14-17H,8-13H2,1H3,(H,29,31)(H,30,33,34);1-8,11-12,15-17H,9-10,13-14H2,(H,30,32)(H2,26,28,29);1-8,13-16H,9-12H2,(H,30,31)(H2,26,28,29);1-7,12-16H,8-11H2,(H,30,31)(H2,26,28,29);1-8,13-15H,9-12H2,(H,28,31)(H2,25,26,27)
InChIKeyWDTFTTQRHMTUIO-UHFFFAOYSA-N
MW2279.66 g/mol
LogP20.90
Rot. Bonds25

About 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-imidazol-1-ylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-(1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]oxane-4-carboxamide;4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide

4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-imidazol-1-ylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-(1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]oxane-4-carboxamide;4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide (PubChem CID 161476257) has the molecular formula C127H119N27O12S2 and a molecular weight of 2279.66 g/mol. Its IUPAC name is 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-imidazol-1-ylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-(1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]oxane-4-carboxamide;4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-imidazol-1-ylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-(1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]oxane-4-carboxamide;4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide
PubChem CID161476257
Molecular FormulaC127H119N27O12S2
Molecular Weight2279.66 g/mol
Exact Mass2277.90
IUPAC Name4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-imidazol-1-ylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-(1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]oxane-4-carboxamide;4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc6c(c5)CCN6)cc4)CCOCC3)nc2)cs1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(-c5cnco5)cc4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(-c5csnn5)cc4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(-n5ccnc5)cc4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4cccc(-c5cnco5)c4)CCOCC3)cc2)cn1
InChIInChI=1S/C28H27N5O2S.C25H24N6O2.2C25H23N5O3.C24H22N6O2S/c1-18-32-24(17-36-18)21-4-7-25(30-15-21)33-27(34)28(9-12-35-13-10-28)23-5-2-19(3-6-23)22-14-20-8-11-29-26(20)31-16-22;26-24-28-15-19(16-29-24)18-1-3-20(4-2-18)25(9-13-33-14-10-25)23(32)30-21-5-7-22(8-6-21)31-12-11-27-17-31;26-24-28-13-19(14-29-24)17-1-5-20(6-2-17)25(9-11-32-12-10-25)23(31)30-21-7-3-18(4-8-21)22-15-27-16-33-22;26-24-28-13-19(14-29-24)17-4-6-20(7-5-17)25(8-10-32-11-9-25)23(31)30-21-3-1-2-18(12-21)22-15-27-16-33-22;25-23-26-13-18(14-27-23)16-1-5-19(6-2-16)24(9-11-32-12-10-24)22(31)28-20-7-3-17(4-8-20)21-15-33-30-29-21/h2-7,14-17H,8-13H2,1H3,(H,29,31)(H,30,33,34);1-8,11-12,15-17H,9-10,13-14H2,(H,30,32)(H2,26,28,29);1-8,13-16H,9-12H2,(H,30,31)(H2,26,28,29);1-7,12-16H,8-11H2,(H,30,31)(H2,26,28,29);1-8,13-15H,9-12H2,(H,28,31)(H2,25,26,27)
InChIKeyWDTFTTQRHMTUIO-UHFFFAOYSA-N
XLogP20.90
TPSA545.21 Ų
H-Bond Donors10
H-Bond Acceptors36
Rotatable Bonds25
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002279.66
LogP ≤ 520.90
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1036

Analyze 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-imidazol-1-ylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-(1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]oxane-4-carboxamide;4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide with MolForge

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Related Compounds

3-[3-(furan-2-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-7-methyl-3,4-dihydro-1H-quinolin-2-one;3-[3-(furan-2-ylmethylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-7-methoxy-1H-quinolin-2-one;7-methoxy-3-[6-methyl-3-(thiophen-2-ylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(1,3-oxazol-5-ylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(1,3-thiazol-5-ylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one
CID 157341431
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(2R)-2-methylpiperazin-1-yl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(2S)-2-methylpiperazin-1-yl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-piperazin-1-yl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-(1,3-thiazol-2-yl)-2-pyridinyl]acetamide
CID 157932121
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[4-(1,3-oxazol-2-yl)-2-pyridinyl]imidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-1-yl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-(4-phenylpyrazol-1-yl)-1,3-thiazole-5-carboxamide
CID 158045384
N-[4-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(2R)-2-methylpiperazin-1-yl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(2S)-2-methylpiperazin-1-yl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-piperazin-1-yl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-(1,3-thiazol-2-yl)-2-pyridinyl]acetamide
CID 158093791
3-[3-(furan-2-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-7-methyl-3,4-dihydro-1H-quinolin-2-one;7-methoxy-3-[6-methyl-3-(1,3-oxazol-5-ylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(1,3-oxazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(1,3-thiazol-5-ylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(thiophen-2-ylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one
CID 158251474
N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-fluoro-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(2-methyl-1,3-thiazol-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(1,3-oxazol-5-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 158358204
8-[[3-(Cyclopenten-1-yl)imidazol-4-yl]methyl]-6-(1-methylimidazol-2-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(4-piperazin-1-ylanilino)-8-[(5-pyridin-4-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-[[3-(oxan-4-yl)triazol-4-yl]methyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(pyridin-3-ylamino)-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(1,3-thiazol-2-yl)furan-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 158381821
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-(4-fluorophenyl)-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-piperazin-1-yl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-(1,3-thiazol-2-yl)-2-pyridinyl]acetamide;methyl 4-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]phenyl]benzoate
CID 158404330
1-[3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-benzylamino]propyl]-3-(4-tert-butylphenyl)urea;3-[(4-tert-butylphenyl)carbamoylamino]-N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-N-methylpropanamide;1-(4-tert-butylphenyl)-6-[cyclobutyl-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]amino]hexan-2-one;1-(4-tert-butylphenyl)-6-[[(2R,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]hexan-2-one;6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-[3-(1,3-oxazol-5-yl)phenyl]hexan-2-one;8-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-thiophen-2-yloctan-4-one
CID 158425344
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-phenyltriazole-4-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[(4-imidazol-1-ylbenzoyl)amino]methyl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[4-(1,3-oxazol-5-yl)benzoyl]amino]methyl]benzamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide;2-methyl-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide;4-methyl-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 158459914
8-[[5-(Cyclopenten-1-yl)-1,3-oxazol-4-yl]methyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(1-phenylethenyl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopropyl-1,3-oxazol-5-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-[[3-(oxan-4-yl)imidazol-4-yl]methyl]-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(piperidin-4-ylamino)anilino]-6-(pyridin-3-ylamino)-8-[[1-(1,3-thiazol-2-yl)imidazol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 158545165
6-Benzoyl-8-[[2-(cyclopenten-1-yl)phenyl]methyl]-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopropyl-3-pyridinyl)methyl]-6-(1-methylpiperidin-2-yl)-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-[[3-(oxan-4-yl)triazol-4-yl]methyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(pyridin-3-ylamino)-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(1,3-thiazol-2-yl)furan-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 158718851

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-imidazol-1-ylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-(1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]oxane-4-carboxamide;4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide?
The IUPAC name of 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-imidazol-1-ylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-(1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]oxane-4-carboxamide;4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide (CID 161476257) is 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-imidazol-1-ylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-(1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]oxane-4-carboxamide;4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide.
What is the SMILES notation for 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-imidazol-1-ylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-(1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]oxane-4-carboxamide;4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide?
The canonical SMILES for 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-imidazol-1-ylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-(1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]oxane-4-carboxamide;4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide is Cc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc6c(c5)CCN6)cc4)CCOCC3)nc2)cs1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(-c5cnco5)cc4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(-c5csnn5)cc4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(-n5ccnc5)cc4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4cccc(-c5cnco5)c4)CCOCC3)cc2)cn1.
What is the InChIKey of 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-imidazol-1-ylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-(1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]oxane-4-carboxamide;4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide?
The InChIKey is WDTFTTQRHMTUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O2S.C25H24N6O2.2C25H23N5O3.C24H22N6O2S/c1-18-32-24(17-36-18)21-4-7-25(30-15-21)33-27(34)28(9-12-35-13-10-28)23-5-2-19(3-6-23)22-14-20-8-11-29-26(20)31-16-22;26-24-28-15-19(16-29-24)18-1-3-20(4-2-18)25(9-13-33-14-10-25)23(32)30-21-5-7-22(8-6-21)31-12-11-27-17-31;26-24-28-13-19(14-29-24)17-1-5-20(6-2-17)25(9-11-32-12-10-25)23(31)30-21-7-3-18(4-8-21)22-15-27-16-33-22;26-24-28-13-19(14-29-24)17-4-6-20(7-5-17)25(8-10-32-11-9-25)23(31)30-21-3-1-2-18(12-21)22-15-27-16-33-22;25-23-26-13-18(14-27-23)16-1-5-19(6-2-16)24(9-11-32-12-10-24)22(31)28-20-7-3-17(4-8-20)21-15-33-30-29-21/h2-7,14-17H,8-13H2,1H3,(H,29,31)(H,30,33,34);1-8,11-12,15-17H,9-10,13-14H2,(H,30,32)(H2,26,28,29);1-8,13-16H,9-12H2,(H,30,31)(H2,26,28,29);1-7,12-16H,8-11H2,(H,30,31)(H2,26,28,29);1-8,13-15H,9-12H2,(H,28,31)(H2,25,26,27).
What are the key properties of 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-imidazol-1-ylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-(1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]oxane-4-carboxamide;4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide?
4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-imidazol-1-ylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-(1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]oxane-4-carboxamide;4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide has a molecular weight of 2279.66 g/mol, XLogP of 20.90, 25 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-imidazol-1-ylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-(1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]oxane-4-carboxamide;4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide is sourced from PubChem (CID 161476257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).