2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-9-fluoro-5-[oxan-4-yl(phenyl)methyl]pyrido[3,2-b]indol-3-yl]propan-2-ol;2-[11-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]propan-2-ol;2-[5-(3,5-dimethyltriazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl]propan-2-ol;ethyl 5-(3,5-dimethyltriazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-11-carboxylate;methyl 11-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5-carboxylate

C148H154FN23O15 — CID 158212140

IUPAC2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-9-fluoro-5-[oxan-4-yl(phenyl)methyl]pyrido[3,2-b]indol-3-yl]propan-2-ol;2-[11-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]propan-2-ol;2-[5-(3,5-dimethyltriazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl]propan-2-ol;ethyl 5-(3,5-dimethyltriazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-11-carboxylate;methyl 11-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5-carboxylate
SMILESCCOC(=O)c1ccc2c3ncc(-c4c(C)nnn4C)cc3n(C(c3ccccc3)C3CCOCC3)c2n1.COC(=O)c1cnc2c3ncc(-c4c(C)noc4C)cc3n(C(c3ccccc3)C3CCOCC3)c2c1.Cc1nnn(C)c1-c1cnc2c3cnc(C(C)(C)O)cc3n(C(c3ccccc3)C3CCOCC3)c2c1.Cc1noc(C)c1-c1cc(F)c2c3ncc(C(C)(C)O)cc3n(C(c3ccccc3)C3CCOCC3)c2c1.Cc1noc(C)c1-c1cnc2c3ncc(C(C)(C)O)cc3n(C(c3ccccc3)C3CCOCC3)c2c1
InChIInChI=1S/C31H32FN3O3.C30H32N4O3.C29H30N6O3.C29H32N6O2.C29H28N4O4/c1-18-27(19(2)38-34-18)22-14-24(32)28-25(15-22)35(26-16-23(31(3,4)36)17-33-29(26)28)30(20-8-6-5-7-9-20)21-10-12-37-13-11-21;1-18-26(19(2)37-33-18)22-14-24-27(31-16-22)28-25(15-23(17-32-28)30(3,4)35)34(24)29(20-8-6-5-7-9-20)21-10-12-36-13-11-21;1-4-38-29(36)23-11-10-22-25-24(16-21(17-30-25)26-18(2)32-33-34(26)3)35(28(22)31-23)27(19-8-6-5-7-9-19)20-12-14-37-15-13-20;1-18-27(34(4)33-32-18)21-14-24-26(31-16-21)22-17-30-25(29(2,3)36)15-23(22)35(24)28(19-8-6-5-7-9-19)20-10-12-37-13-11-20;1-17-25(18(2)37-32-17)21-13-23-26(30-15-21)27-24(14-22(16-31-27)29(34)35-3)33(23)28(19-7-5-4-6-8-19)20-9-11-36-12-10-20/h5-9,14-17,21,30,36H,10-13H2,1-4H3;5-9,14-17,21,29,35H,10-13H2,1-4H3;5-11,16-17,20,27H,4,12-15H2,1-3H3;5-9,14-17,20,28,36H,10-13H2,1-4H3;4-8,13-16,20,28H,9-12H2,1-3H3
InChIKeyGCFBFLWKVMGCTK-UHFFFAOYSA-N
MW2514.00 g/mol
LogP28.42
Rot. Bonds26

About 2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-9-fluoro-5-[oxan-4-yl(phenyl)methyl]pyrido[3,2-b]indol-3-yl]propan-2-ol;2-[11-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]propan-2-ol;2-[5-(3,5-dimethyltriazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl]propan-2-ol;ethyl 5-(3,5-dimethyltriazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-11-carboxylate;methyl 11-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5-carboxylate

2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-9-fluoro-5-[oxan-4-yl(phenyl)methyl]pyrido[3,2-b]indol-3-yl]propan-2-ol;2-[11-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]propan-2-ol;2-[5-(3,5-dimethyltriazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl]propan-2-ol;ethyl 5-(3,5-dimethyltriazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-11-carboxylate;methyl 11-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5-carboxylate (PubChem CID 158212140) has the molecular formula C148H154FN23O15 and a molecular weight of 2514.00 g/mol. Its IUPAC name is 2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-9-fluoro-5-[oxan-4-yl(phenyl)methyl]pyrido[3,2-b]indol-3-yl]propan-2-ol;2-[11-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]propan-2-ol;2-[5-(3,5-dimethyltriazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl]propan-2-ol;ethyl 5-(3,5-dimethyltriazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-11-carboxylate;methyl 11-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5-carboxylate.

Molecular Properties

Compound Name2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-9-fluoro-5-[oxan-4-yl(phenyl)methyl]pyrido[3,2-b]indol-3-yl]propan-2-ol;2-[11-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]propan-2-ol;2-[5-(3,5-dimethyltriazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl]propan-2-ol;ethyl 5-(3,5-dimethyltriazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-11-carboxylate;methyl 11-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5-carboxylate
PubChem CID158212140
Molecular FormulaC148H154FN23O15
Molecular Weight2514.00 g/mol
Exact Mass2512.20
IUPAC Name2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-9-fluoro-5-[oxan-4-yl(phenyl)methyl]pyrido[3,2-b]indol-3-yl]propan-2-ol;2-[11-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]propan-2-ol;2-[5-(3,5-dimethyltriazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl]propan-2-ol;ethyl 5-(3,5-dimethyltriazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-11-carboxylate;methyl 11-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5-carboxylate
SMILESCCOC(=O)c1ccc2c3ncc(-c4c(C)nnn4C)cc3n(C(c3ccccc3)C3CCOCC3)c2n1.COC(=O)c1cnc2c3ncc(-c4c(C)noc4C)cc3n(C(c3ccccc3)C3CCOCC3)c2c1.Cc1nnn(C)c1-c1cnc2c3cnc(C(C)(C)O)cc3n(C(c3ccccc3)C3CCOCC3)c2c1.Cc1noc(C)c1-c1cc(F)c2c3ncc(C(C)(C)O)cc3n(C(c3ccccc3)C3CCOCC3)c2c1.Cc1noc(C)c1-c1cnc2c3ncc(C(C)(C)O)cc3n(C(c3ccccc3)C3CCOCC3)c2c1
InChIInChI=1S/C31H32FN3O3.C30H32N4O3.C29H30N6O3.C29H32N6O2.C29H28N4O4/c1-18-27(19(2)38-34-18)22-14-24(32)28-25(15-22)35(26-16-23(31(3,4)36)17-33-29(26)28)30(20-8-6-5-7-9-20)21-10-12-37-13-11-21;1-18-26(19(2)37-33-18)22-14-24-27(31-16-22)28-25(15-23(17-32-28)30(3,4)35)34(24)29(20-8-6-5-7-9-20)21-10-12-36-13-11-21;1-4-38-29(36)23-11-10-22-25-24(16-21(17-30-25)26-18(2)32-33-34(26)3)35(28(22)31-23)27(19-8-6-5-7-9-19)20-12-14-37-15-13-20;1-18-27(34(4)33-32-18)21-14-24-26(31-16-21)22-17-30-25(29(2,3)36)15-23(22)35(24)28(19-8-6-5-7-9-19)20-10-12-37-13-11-20;1-17-25(18(2)37-32-17)21-13-23-26(30-15-21)27-24(14-22(16-31-27)29(34)35-3)33(23)28(19-7-5-4-6-8-19)20-9-11-36-12-10-20/h5-9,14-17,21,30,36H,10-13H2,1-4H3;5-9,14-17,21,29,35H,10-13H2,1-4H3;5-11,16-17,20,27H,4,12-15H2,1-3H3;5-9,14-17,20,28,36H,10-13H2,1-4H3;4-8,13-16,20,28H,9-12H2,1-3H3
InChIKeyGCFBFLWKVMGCTK-UHFFFAOYSA-N
XLogP28.42
TPSA439.61 Ų
H-Bond Donors3
H-Bond Acceptors38
Rotatable Bonds26
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002514.00
LogP ≤ 528.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1038

Analyze 2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-9-fluoro-5-[oxan-4-yl(phenyl)methyl]pyrido[3,2-b]indol-3-yl]propan-2-ol;2-[11-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]propan-2-ol;2-[5-(3,5-dimethyltriazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl]propan-2-ol;ethyl 5-(3,5-dimethyltriazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-11-carboxylate;methyl 11-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5-carboxylate with MolForge

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Related Compounds

4-[2-cyclohexyl-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(4,4-difluorocyclohexyl)-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;bis(4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole);4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-phenylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 157101578
4-[2-cyclohexyl-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(4,4-difluorocyclohexyl)-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[2-(difluoromethoxy)ethyl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-pyridin-3-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 157369307
4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridin-3-yl]benzoic acid;methyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-3-yl]benzoate;methyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-3-yl]benzoate
CID 157970444
Carbon dioxide;2-[8-[(4,4-difluorocyclohexyl)-phenylmethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl]propan-2-ol;3,5-dimethyl-4-[8-[oxan-4-yl(phenyl)methyl]-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]-1,2-oxazole;ethyl 8-[(4,4-difluorocyclohexyl)-phenylmethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-11-carboxylate;4-(11-ethyl-8-heptan-4-yl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)-3,5-dimethyl-1,2-oxazole
CID 158021648
6-(3-benzyl-2-ethyl-5-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-4-methoxy-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-[4-methoxy-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid;N-[4-(trifluoromethyl)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-amine
CID 158064125
2-[8-[(4,4-Difluorocyclohexyl)-phenylmethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]propan-2-ol;3,5-dimethyl-4-[11-methylsulfonyl-8-[oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]-1,2-oxazole;ethyl 8-[(4,4-difluorocyclohexyl)-phenylmethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-11-carboxylate;4-[13-fluoro-8-[oxan-4-yl(phenyl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]-3,5-dimethyl-1,2-oxazole;methyl 5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-11-carboxylate
CID 158267064
[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-bis(5-fluoro-2-pyridinyl)methanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-bis(3-methyl-4-pyridinyl)methanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(2,5-dimethyl-4-pyridinyl)methanone;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridazin-3-ylmethanone;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-[6-(trifluoromethyl)pyridazin-3-yl]methanone
CID 158384302
4-[1-[2-(difluoromethoxy)ethyl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[8-methyl-2-(oxan-4-yl)-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]quinolin-7-yl]-1,2-oxazole
CID 159898481
3-[[1-(3,3-Difluoro-2-hydroxybutyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(oxolan-3-yl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]pyridine-4-carboxylic acid
CID 159953482
Tert-butyl 4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]pyrazole-1-carboxylate;4-[3-(2-cyclopropylpyrimidin-5-yl)-1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]benzoic acid;4-[1-[(1-fluoro-4-methylcyclohex-3-en-1-yl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 160412502
4-[3-[1-(Difluoromethyl)pyrazol-4-yl]-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(difluoromethyl)pyrazol-4-yl]-1-(pyrimidin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-(pyrimidin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-3-yl]benzoic acid
CID 160653452
4-[2-(4,4-difluorocyclohexyl)-8-methyl-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-2-[(4,4-difluoropiperidin-1-yl)methyl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methylimidazo[4,5-c]quinolin-2-yl]methyl]morpholine;4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(pyrrolidin-1-ylmethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[8-methyl-2-(oxan-4-yl)-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]quinolin-7-yl]-1,2-oxazole
CID 161032845

Frequently Asked Questions

What is the IUPAC name of 2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-9-fluoro-5-[oxan-4-yl(phenyl)methyl]pyrido[3,2-b]indol-3-yl]propan-2-ol;2-[11-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]propan-2-ol;2-[5-(3,5-dimethyltriazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl]propan-2-ol;ethyl 5-(3,5-dimethyltriazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-11-carboxylate;methyl 11-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5-carboxylate?
The IUPAC name of 2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-9-fluoro-5-[oxan-4-yl(phenyl)methyl]pyrido[3,2-b]indol-3-yl]propan-2-ol;2-[11-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]propan-2-ol;2-[5-(3,5-dimethyltriazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl]propan-2-ol;ethyl 5-(3,5-dimethyltriazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-11-carboxylate;methyl 11-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5-carboxylate (CID 158212140) is 2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-9-fluoro-5-[oxan-4-yl(phenyl)methyl]pyrido[3,2-b]indol-3-yl]propan-2-ol;2-[11-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]propan-2-ol;2-[5-(3,5-dimethyltriazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl]propan-2-ol;ethyl 5-(3,5-dimethyltriazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-11-carboxylate;methyl 11-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5-carboxylate.
What is the SMILES notation for 2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-9-fluoro-5-[oxan-4-yl(phenyl)methyl]pyrido[3,2-b]indol-3-yl]propan-2-ol;2-[11-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]propan-2-ol;2-[5-(3,5-dimethyltriazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl]propan-2-ol;ethyl 5-(3,5-dimethyltriazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-11-carboxylate;methyl 11-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5-carboxylate?
The canonical SMILES for 2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-9-fluoro-5-[oxan-4-yl(phenyl)methyl]pyrido[3,2-b]indol-3-yl]propan-2-ol;2-[11-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]propan-2-ol;2-[5-(3,5-dimethyltriazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl]propan-2-ol;ethyl 5-(3,5-dimethyltriazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-11-carboxylate;methyl 11-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5-carboxylate is CCOC(=O)c1ccc2c3ncc(-c4c(C)nnn4C)cc3n(C(c3ccccc3)C3CCOCC3)c2n1.COC(=O)c1cnc2c3ncc(-c4c(C)noc4C)cc3n(C(c3ccccc3)C3CCOCC3)c2c1.Cc1nnn(C)c1-c1cnc2c3cnc(C(C)(C)O)cc3n(C(c3ccccc3)C3CCOCC3)c2c1.Cc1noc(C)c1-c1cc(F)c2c3ncc(C(C)(C)O)cc3n(C(c3ccccc3)C3CCOCC3)c2c1.Cc1noc(C)c1-c1cnc2c3ncc(C(C)(C)O)cc3n(C(c3ccccc3)C3CCOCC3)c2c1.
What is the InChIKey of 2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-9-fluoro-5-[oxan-4-yl(phenyl)methyl]pyrido[3,2-b]indol-3-yl]propan-2-ol;2-[11-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]propan-2-ol;2-[5-(3,5-dimethyltriazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl]propan-2-ol;ethyl 5-(3,5-dimethyltriazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-11-carboxylate;methyl 11-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5-carboxylate?
The InChIKey is GCFBFLWKVMGCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32FN3O3.C30H32N4O3.C29H30N6O3.C29H32N6O2.C29H28N4O4/c1-18-27(19(2)38-34-18)22-14-24(32)28-25(15-22)35(26-16-23(31(3,4)36)17-33-29(26)28)30(20-8-6-5-7-9-20)21-10-12-37-13-11-21;1-18-26(19(2)37-33-18)22-14-24-27(31-16-22)28-25(15-23(17-32-28)30(3,4)35)34(24)29(20-8-6-5-7-9-20)21-10-12-36-13-11-21;1-4-38-29(36)23-11-10-22-25-24(16-21(17-30-25)26-18(2)32-33-34(26)3)35(28(22)31-23)27(19-8-6-5-7-9-19)20-12-14-37-15-13-20;1-18-27(34(4)33-32-18)21-14-24-26(31-16-21)22-17-30-25(29(2,3)36)15-23(22)35(24)28(19-8-6-5-7-9-19)20-10-12-37-13-11-20;1-17-25(18(2)37-32-17)21-13-23-26(30-15-21)27-24(14-22(16-31-27)29(34)35-3)33(23)28(19-7-5-4-6-8-19)20-9-11-36-12-10-20/h5-9,14-17,21,30,36H,10-13H2,1-4H3;5-9,14-17,21,29,35H,10-13H2,1-4H3;5-11,16-17,20,27H,4,12-15H2,1-3H3;5-9,14-17,20,28,36H,10-13H2,1-4H3;4-8,13-16,20,28H,9-12H2,1-3H3.
What are the key properties of 2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-9-fluoro-5-[oxan-4-yl(phenyl)methyl]pyrido[3,2-b]indol-3-yl]propan-2-ol;2-[11-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]propan-2-ol;2-[5-(3,5-dimethyltriazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl]propan-2-ol;ethyl 5-(3,5-dimethyltriazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-11-carboxylate;methyl 11-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5-carboxylate?
2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-9-fluoro-5-[oxan-4-yl(phenyl)methyl]pyrido[3,2-b]indol-3-yl]propan-2-ol;2-[11-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]propan-2-ol;2-[5-(3,5-dimethyltriazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl]propan-2-ol;ethyl 5-(3,5-dimethyltriazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-11-carboxylate;methyl 11-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5-carboxylate has a molecular weight of 2514.00 g/mol, XLogP of 28.42, 26 rotatable bonds, 3 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-9-fluoro-5-[oxan-4-yl(phenyl)methyl]pyrido[3,2-b]indol-3-yl]propan-2-ol;2-[11-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]propan-2-ol;2-[5-(3,5-dimethyltriazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl]propan-2-ol;ethyl 5-(3,5-dimethyltriazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-11-carboxylate;methyl 11-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5-carboxylate is sourced from PubChem (CID 158212140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).