(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-6-(furan-3-yl)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(5-methyl-3-pyridinyl)-3,4-dihydro-2H-[1,3]oxazino[3,2-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-pyridin-3-yl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(1,3-thiazol-4-yl)-3,4-dihydro-2H-[1,3]oxazino[3,2-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-thiophen-2-yl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide

C139H110Cl6F12N22O19S3 — CID 160566802

IUPAC(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-6-(furan-3-yl)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(5-methyl-3-pyridinyl)-3,4-dihydro-2H-[1,3]oxazino[3,2-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-pyridin-3-yl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(1,3-thiazol-4-yl)-3,4-dihydro-2H-[1,3]oxazino[3,2-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-thiophen-2-yl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide
SMILESC[C@@H]1CCOc2nc3cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc(-c4cscn4)c3n21.C[C@@H]1COCc2nc3cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc(-c4cccnc4)c3n21.C[C@@H]1COCc2nc3cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc(-c4cccs4)c3n21.C[C@@H]1COCc2nc3cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc(-c4ccoc4)c3n21.C[C@@H]1COCc2nc3cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc(-c4nccs4)c3n21.Cc1cncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc3nc4n(c23)[C@H](C)CCO4)c1
InChIInChI=1S/C25H21ClF2N4O3.C24H19ClF2N4O3.C23H18ClF2N3O4.C23H18ClF2N3O3S.2C22H17ClF2N4O3S/c1-14-9-17(13-29-12-14)20-10-16(11-21-22(20)32-15(2)7-8-34-24(32)31-21)23(33)30-18-3-5-19(6-4-18)35-25(26,27)28;1-14-12-33-13-21-30-20-10-16(9-19(22(20)31(14)21)15-3-2-8-28-11-15)23(32)29-17-4-6-18(7-5-17)34-24(25,26)27;1-13-10-32-12-20-28-19-9-15(8-18(21(19)29(13)20)14-6-7-31-11-14)22(30)27-16-2-4-17(5-3-16)33-23(24,25)26;1-13-11-31-12-20-28-18-10-14(9-17(21(18)29(13)20)19-3-2-8-33-19)22(30)27-15-4-6-16(7-5-15)32-23(24,25)26;1-12-10-31-11-18-28-17-9-13(8-16(19(17)29(12)18)21-26-6-7-33-21)20(30)27-14-2-4-15(5-3-14)32-22(23,24)25;1-12-6-7-31-21-28-17-9-13(8-16(19(17)29(12)21)18-10-33-11-26-18)20(30)27-14-2-4-15(5-3-14)32-22(23,24)25/h3-6,9-13,15H,7-8H2,1-2H3,(H,30,33);2-11,14H,12-13H2,1H3,(H,29,32);2-9,11,13H,10,12H2,1H3,(H,27,30);2-10,13H,11-12H2,1H3,(H,27,30);2-9,12H,10-11H2,1H3,(H,27,30);2-5,8-12H,6-7H2,1H3,(H,27,30)/t15-;14-;2*13-;2*12-/m111111/s1
InChIKeyRAAILJKBCIVJSF-ULQCZEMGSA-N
MW2929.44 g/mol
LogP35.46
Rot. Bonds30

About (4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-6-(furan-3-yl)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(5-methyl-3-pyridinyl)-3,4-dihydro-2H-[1,3]oxazino[3,2-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-pyridin-3-yl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(1,3-thiazol-4-yl)-3,4-dihydro-2H-[1,3]oxazino[3,2-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-thiophen-2-yl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide

(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-6-(furan-3-yl)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(5-methyl-3-pyridinyl)-3,4-dihydro-2H-[1,3]oxazino[3,2-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-pyridin-3-yl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(1,3-thiazol-4-yl)-3,4-dihydro-2H-[1,3]oxazino[3,2-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-thiophen-2-yl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide (PubChem CID 160566802) has the molecular formula C139H110Cl6F12N22O19S3 and a molecular weight of 2929.44 g/mol. Its IUPAC name is (4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-6-(furan-3-yl)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(5-methyl-3-pyridinyl)-3,4-dihydro-2H-[1,3]oxazino[3,2-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-pyridin-3-yl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(1,3-thiazol-4-yl)-3,4-dihydro-2H-[1,3]oxazino[3,2-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-thiophen-2-yl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide.

Molecular Properties

Compound Name(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-6-(furan-3-yl)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(5-methyl-3-pyridinyl)-3,4-dihydro-2H-[1,3]oxazino[3,2-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-pyridin-3-yl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(1,3-thiazol-4-yl)-3,4-dihydro-2H-[1,3]oxazino[3,2-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-thiophen-2-yl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide
PubChem CID160566802
Molecular FormulaC139H110Cl6F12N22O19S3
Molecular Weight2929.44 g/mol
Exact Mass2924.54
IUPAC Name(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-6-(furan-3-yl)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(5-methyl-3-pyridinyl)-3,4-dihydro-2H-[1,3]oxazino[3,2-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-pyridin-3-yl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(1,3-thiazol-4-yl)-3,4-dihydro-2H-[1,3]oxazino[3,2-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-thiophen-2-yl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide
SMILESC[C@@H]1CCOc2nc3cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc(-c4cscn4)c3n21.C[C@@H]1COCc2nc3cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc(-c4cccnc4)c3n21.C[C@@H]1COCc2nc3cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc(-c4cccs4)c3n21.C[C@@H]1COCc2nc3cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc(-c4ccoc4)c3n21.C[C@@H]1COCc2nc3cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc(-c4nccs4)c3n21.Cc1cncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc3nc4n(c23)[C@H](C)CCO4)c1
InChIInChI=1S/C25H21ClF2N4O3.C24H19ClF2N4O3.C23H18ClF2N3O4.C23H18ClF2N3O3S.2C22H17ClF2N4O3S/c1-14-9-17(13-29-12-14)20-10-16(11-21-22(20)32-15(2)7-8-34-24(32)31-21)23(33)30-18-3-5-19(6-4-18)35-25(26,27)28;1-14-12-33-13-21-30-20-10-16(9-19(22(20)31(14)21)15-3-2-8-28-11-15)23(32)29-17-4-6-18(7-5-17)34-24(25,26)27;1-13-10-32-12-20-28-19-9-15(8-18(21(19)29(13)20)14-6-7-31-11-14)22(30)27-16-2-4-17(5-3-16)33-23(24,25)26;1-13-11-31-12-20-28-18-10-14(9-17(21(18)29(13)20)19-3-2-8-33-19)22(30)27-15-4-6-16(7-5-15)32-23(24,25)26;1-12-10-31-11-18-28-17-9-13(8-16(19(17)29(12)18)21-26-6-7-33-21)20(30)27-14-2-4-15(5-3-14)32-22(23,24)25;1-12-6-7-31-21-28-17-9-13(8-16(19(17)29(12)21)18-10-33-11-26-18)20(30)27-14-2-4-15(5-3-14)32-22(23,24)25/h3-6,9-13,15H,7-8H2,1-2H3,(H,30,33);2-11,14H,12-13H2,1H3,(H,29,32);2-9,11,13H,10,12H2,1H3,(H,27,30);2-10,13H,11-12H2,1H3,(H,27,30);2-9,12H,10-11H2,1H3,(H,27,30);2-5,8-12H,6-7H2,1H3,(H,27,30)/t15-;14-;2*13-;2*12-/m111111/s1
InChIKeyRAAILJKBCIVJSF-ULQCZEMGSA-N
XLogP35.46
TPSA456.98 Ų
H-Bond Donors6
H-Bond Acceptors38
Rotatable Bonds30
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002929.44
LogP ≤ 535.46
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-6-(furan-3-yl)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(5-methyl-3-pyridinyl)-3,4-dihydro-2H-[1,3]oxazino[3,2-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-pyridin-3-yl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(1,3-thiazol-4-yl)-3,4-dihydro-2H-[1,3]oxazino[3,2-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-thiophen-2-yl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide with MolForge

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Related Compounds

CID 157454770
CID 157454770
bis(N-[3-[[2-(furan-3-yl)-9-methylpurin-6-yl]amino]-4-methylphenyl]-3-(trifluoromethyl)benzamide);N-[4-methyl-3-[(9-methyl-2-pyridin-3-ylpurin-6-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(9-methyl-2-pyridin-4-ylpurin-6-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(9-methyl-2-thiophen-3-ylpurin-6-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 157464586
N-[2-[5-(furan-2-yl)-2-pyridinyl]ethyl]-4-methyl-2-(oxan-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-(oxan-4-yl)-N-[2-(4-propoxycyclohexyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-piperidin-4-yl-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoro-1-thiophen-2-ylethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-pyridin-3-yl-N-[2,2,2-trifluoro-1-(4-propoxycyclohexyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoro-1-thiophen-2-ylethyl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 157655987
N-[4-methyl-3-[8-[(3R)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(5-morpholin-4-ylimidazo[1,2-c]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(5-morpholin-4-yl-2-oxo-3H-1,3-benzoxazol-7-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(7-morpholin-4-yl-2-oxo-3H-1,3-benzoxazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 158015490
(2'R,4'S,4'aS)-2',4'-dimethyl-8'-[4-(1,3-oxazol-2-yl)-1,3-oxazol-2-yl]spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione;(2'R,4'S,4'aS)-2',4'-dimethyl-8'-[5-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione;(2'S,4'S,4'aS)-10'-fluoro-8'-[3-(1H-imidazol-2-yl)propanoyl]-4'-methyl-2'-(trifluoromethyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione;(2'R,4'S,4'aS)-8'-(6-fluoro-3-pyridinyl)-2',4'-dimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione;(2'R,4'S,4'aS)-8'-[5-(1H-imidazol-2-yl)-1H-imidazol-2-yl]-2',4'-dimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione
CID 158293483
CID 158466648
CID 158466648
CID 158690568
CID 158690568
(4R)-4-[(1R)-1-[7-(3-methylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methylbenzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(2-methyl-1,3-benzothiazol-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 158744610
2-Amino-5-[2-fluoro-5-(furan-3-yl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-oxazol-4-yl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-thiazol-5-yl)phenyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-thiophen-3-ylphenyl)-3-methyl-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one
CID 158760585
6-(6-Cyclopentyl-4-methyl-3-pyridinyl)-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-[4-(oxan-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-(3-methyl-4-piperazin-1-ylanilino)-6-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-(2-methyl-6-pyridin-4-yl-3-pyridinyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-6-pyridin-3-ylpyrazin-2-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
CID 159116741
methyl 2-[[4-[6-[(7-cyano-3,4-dihydro-2H-chromen-4-yl)oxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(5-cyanothiophen-3-yl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[4-(3-fluorooxetan-3-yl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-(1H-indol-7-ylmethoxy)-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[2-methoxy-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate
CID 159209425
6-(1-cyclopenta-1,4-dien-1-yl-5-methylimidazol-4-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1-methyltetrazol-5-yl)-3H-pyrrol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-thiazol-2-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one
CID 159361461

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-6-(furan-3-yl)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(5-methyl-3-pyridinyl)-3,4-dihydro-2H-[1,3]oxazino[3,2-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-pyridin-3-yl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(1,3-thiazol-4-yl)-3,4-dihydro-2H-[1,3]oxazino[3,2-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-thiophen-2-yl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide?
The IUPAC name of (4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-6-(furan-3-yl)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(5-methyl-3-pyridinyl)-3,4-dihydro-2H-[1,3]oxazino[3,2-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-pyridin-3-yl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(1,3-thiazol-4-yl)-3,4-dihydro-2H-[1,3]oxazino[3,2-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-thiophen-2-yl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide (CID 160566802) is (4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-6-(furan-3-yl)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(5-methyl-3-pyridinyl)-3,4-dihydro-2H-[1,3]oxazino[3,2-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-pyridin-3-yl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(1,3-thiazol-4-yl)-3,4-dihydro-2H-[1,3]oxazino[3,2-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-thiophen-2-yl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide.
What is the SMILES notation for (4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-6-(furan-3-yl)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(5-methyl-3-pyridinyl)-3,4-dihydro-2H-[1,3]oxazino[3,2-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-pyridin-3-yl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(1,3-thiazol-4-yl)-3,4-dihydro-2H-[1,3]oxazino[3,2-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-thiophen-2-yl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide?
The canonical SMILES for (4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-6-(furan-3-yl)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(5-methyl-3-pyridinyl)-3,4-dihydro-2H-[1,3]oxazino[3,2-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-pyridin-3-yl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(1,3-thiazol-4-yl)-3,4-dihydro-2H-[1,3]oxazino[3,2-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-thiophen-2-yl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide is C[C@@H]1CCOc2nc3cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc(-c4cscn4)c3n21.C[C@@H]1COCc2nc3cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc(-c4cccnc4)c3n21.C[C@@H]1COCc2nc3cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc(-c4cccs4)c3n21.C[C@@H]1COCc2nc3cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc(-c4ccoc4)c3n21.C[C@@H]1COCc2nc3cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc(-c4nccs4)c3n21.Cc1cncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc3nc4n(c23)[C@H](C)CCO4)c1.
What is the InChIKey of (4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-6-(furan-3-yl)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(5-methyl-3-pyridinyl)-3,4-dihydro-2H-[1,3]oxazino[3,2-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-pyridin-3-yl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(1,3-thiazol-4-yl)-3,4-dihydro-2H-[1,3]oxazino[3,2-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-thiophen-2-yl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide?
The InChIKey is RAAILJKBCIVJSF-ULQCZEMGSA-N. The full InChI is InChI=1S/C25H21ClF2N4O3.C24H19ClF2N4O3.C23H18ClF2N3O4.C23H18ClF2N3O3S.2C22H17ClF2N4O3S/c1-14-9-17(13-29-12-14)20-10-16(11-21-22(20)32-15(2)7-8-34-24(32)31-21)23(33)30-18-3-5-19(6-4-18)35-25(26,27)28;1-14-12-33-13-21-30-20-10-16(9-19(22(20)31(14)21)15-3-2-8-28-11-15)23(32)29-17-4-6-18(7-5-17)34-24(25,26)27;1-13-10-32-12-20-28-19-9-15(8-18(21(19)29(13)20)14-6-7-31-11-14)22(30)27-16-2-4-17(5-3-16)33-23(24,25)26;1-13-11-31-12-20-28-18-10-14(9-17(21(18)29(13)20)19-3-2-8-33-19)22(30)27-15-4-6-16(7-5-15)32-23(24,25)26;1-12-10-31-11-18-28-17-9-13(8-16(19(17)29(12)18)21-26-6-7-33-21)20(30)27-14-2-4-15(5-3-14)32-22(23,24)25;1-12-6-7-31-21-28-17-9-13(8-16(19(17)29(12)21)18-10-33-11-26-18)20(30)27-14-2-4-15(5-3-14)32-22(23,24)25/h3-6,9-13,15H,7-8H2,1-2H3,(H,30,33);2-11,14H,12-13H2,1H3,(H,29,32);2-9,11,13H,10,12H2,1H3,(H,27,30);2-10,13H,11-12H2,1H3,(H,27,30);2-9,12H,10-11H2,1H3,(H,27,30);2-5,8-12H,6-7H2,1H3,(H,27,30)/t15-;14-;2*13-;2*12-/m111111/s1.
What are the key properties of (4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-6-(furan-3-yl)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(5-methyl-3-pyridinyl)-3,4-dihydro-2H-[1,3]oxazino[3,2-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-pyridin-3-yl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(1,3-thiazol-4-yl)-3,4-dihydro-2H-[1,3]oxazino[3,2-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-thiophen-2-yl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide?
(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-6-(furan-3-yl)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(5-methyl-3-pyridinyl)-3,4-dihydro-2H-[1,3]oxazino[3,2-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-pyridin-3-yl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(1,3-thiazol-4-yl)-3,4-dihydro-2H-[1,3]oxazino[3,2-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-thiophen-2-yl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide has a molecular weight of 2929.44 g/mol, XLogP of 35.46, 30 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-6-(furan-3-yl)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(5-methyl-3-pyridinyl)-3,4-dihydro-2H-[1,3]oxazino[3,2-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-pyridin-3-yl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(1,3-thiazol-4-yl)-3,4-dihydro-2H-[1,3]oxazino[3,2-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-thiophen-2-yl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide is sourced from PubChem (CID 160566802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).