4-[4-(6-chloroquinolin-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(7-chloroquinolin-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(2-isocyano-1H-indol-3-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methoxyquinolin-4-yl)-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methyl-3H-indol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methylquinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-[2-(trifluoromethyl)quinolin-4-yl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole

C210H171Cl2F3N42O17 — CID 158078959

IUPAC4-[4-(6-chloroquinolin-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(7-chloroquinolin-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(2-isocyano-1H-indol-3-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methoxyquinolin-4-yl)-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methyl-3H-indol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methylquinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-[2-(trifluoromethyl)quinolin-4-yl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc(-c2nc(C)nc3[nH]c4cc(-c5c(C)noc5C)c(OC)cc4c23)c2ccccc2n1.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3c(C)nc4ccccn34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cc(C(F)(F)F)nc4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cc(C)nc4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccnc4cc(Cl)ccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccnc4ccc(Cl)cc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(C3C(C)=Nc4ccccc43)c12.[C-]#[N+]c1[nH]c2ccccc2c1-c1nc(C)nc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12
InChIInChI=1S/C27H20F3N5O2.C27H23N5O3.C27H23N5O2.2C26H20ClN5O2.C26H20N6O2.C26H23N5O2.C25H22N6O2/c1-12-23(13(2)37-35-12)18-9-20-17(10-21(18)36-4)24-25(31-14(3)32-26(24)34-20)16-11-22(27(28,29)30)33-19-8-6-5-7-15(16)19;1-13-24(14(2)35-32-13)19-10-21-18(11-22(19)33-4)25-26(28-15(3)29-27(25)31-21)17-12-23(34-5)30-20-9-7-6-8-16(17)20;1-13-10-18(17-8-6-7-9-21(17)28-13)26-25-19-12-23(33-5)20(24-14(2)32-34-15(24)3)11-22(19)31-27(25)30-16(4)29-26;1-12-23(13(2)34-32-12)19-10-21-18(11-22(19)33-4)24-25(29-14(3)30-26(24)31-21)16-7-8-28-20-6-5-15(27)9-17(16)20;1-12-23(13(2)34-32-12)19-10-21-18(11-22(19)33-4)24-25(29-14(3)30-26(24)31-21)17-7-8-28-20-9-15(27)5-6-16(17)20;1-12-21(13(2)34-32-12)17-10-19-16(11-20(17)33-5)23-24(28-14(3)29-26(23)31-19)22-15-8-6-7-9-18(15)30-25(22)27-4;1-12-23(16-8-6-7-9-19(16)27-12)25-24-17-11-21(32-5)18(22-13(2)31-33-14(22)3)10-20(17)30-26(24)29-15(4)28-25;1-12-21(14(3)33-30-12)17-10-18-16(11-19(17)32-5)22-23(27-15(4)28-25(22)29-18)24-13(2)26-20-8-6-7-9-31(20)24/h5-11H,1-4H3,(H,31,32,34);6-12H,1-5H3,(H,28,29,31);6-12H,1-5H3,(H,29,30,31);2*5-11H,1-4H3,(H,29,30,31);6-11,30H,1-3,5H3,(H,28,29,31);6-11,23H,1-5H3,(H,28,29,30);6-11H,1-5H3,(H,27,28,29)
InChIKeyFMSFWAJLUDQYED-UHFFFAOYSA-N
MW3682.85 g/mol
LogP49.88
Rot. Bonds25

About 4-[4-(6-chloroquinolin-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(7-chloroquinolin-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(2-isocyano-1H-indol-3-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methoxyquinolin-4-yl)-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methyl-3H-indol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methylquinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-[2-(trifluoromethyl)quinolin-4-yl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole

4-[4-(6-chloroquinolin-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(7-chloroquinolin-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(2-isocyano-1H-indol-3-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methoxyquinolin-4-yl)-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methyl-3H-indol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methylquinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-[2-(trifluoromethyl)quinolin-4-yl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 158078959) has the molecular formula C210H171Cl2F3N42O17 and a molecular weight of 3682.85 g/mol. Its IUPAC name is 4-[4-(6-chloroquinolin-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(7-chloroquinolin-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(2-isocyano-1H-indol-3-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methoxyquinolin-4-yl)-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methyl-3H-indol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methylquinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-[2-(trifluoromethyl)quinolin-4-yl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[4-(6-chloroquinolin-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(7-chloroquinolin-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(2-isocyano-1H-indol-3-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methoxyquinolin-4-yl)-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methyl-3H-indol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methylquinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-[2-(trifluoromethyl)quinolin-4-yl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID158078959
Molecular FormulaC210H171Cl2F3N42O17
Molecular Weight3682.85 g/mol
Exact Mass3679.31
IUPAC Name4-[4-(6-chloroquinolin-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(7-chloroquinolin-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(2-isocyano-1H-indol-3-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methoxyquinolin-4-yl)-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methyl-3H-indol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methylquinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-[2-(trifluoromethyl)quinolin-4-yl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc(-c2nc(C)nc3[nH]c4cc(-c5c(C)noc5C)c(OC)cc4c23)c2ccccc2n1.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3c(C)nc4ccccn34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cc(C(F)(F)F)nc4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cc(C)nc4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccnc4cc(Cl)ccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccnc4ccc(Cl)cc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(C3C(C)=Nc4ccccc43)c12.[C-]#[N+]c1[nH]c2ccccc2c1-c1nc(C)nc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12
InChIInChI=1S/C27H20F3N5O2.C27H23N5O3.C27H23N5O2.2C26H20ClN5O2.C26H20N6O2.C26H23N5O2.C25H22N6O2/c1-12-23(13(2)37-35-12)18-9-20-17(10-21(18)36-4)24-25(31-14(3)32-26(24)34-20)16-11-22(27(28,29)30)33-19-8-6-5-7-15(16)19;1-13-24(14(2)35-32-13)19-10-21-18(11-22(19)33-4)25-26(28-15(3)29-27(25)31-21)17-12-23(34-5)30-20-9-7-6-8-16(17)20;1-13-10-18(17-8-6-7-9-21(17)28-13)26-25-19-12-23(33-5)20(24-14(2)32-34-15(24)3)11-22(19)31-27(25)30-16(4)29-26;1-12-23(13(2)34-32-12)19-10-21-18(11-22(19)33-4)24-25(29-14(3)30-26(24)31-21)16-7-8-28-20-6-5-15(27)9-17(16)20;1-12-23(13(2)34-32-12)19-10-21-18(11-22(19)33-4)24-25(29-14(3)30-26(24)31-21)17-7-8-28-20-9-15(27)5-6-16(17)20;1-12-21(13(2)34-32-12)17-10-19-16(11-20(17)33-5)23-24(28-14(3)29-26(23)31-19)22-15-8-6-7-9-18(15)30-25(22)27-4;1-12-23(16-8-6-7-9-19(16)27-12)25-24-17-11-21(32-5)18(22-13(2)31-33-14(22)3)10-20(17)30-26(24)29-15(4)28-25;1-12-21(14(3)33-30-12)17-10-18-16(11-19(17)32-5)22-23(27-15(4)28-25(22)29-18)24-13(2)26-20-8-6-7-9-31(20)24/h5-11H,1-4H3,(H,31,32,34);6-12H,1-5H3,(H,28,29,31);6-12H,1-5H3,(H,29,30,31);2*5-11H,1-4H3,(H,29,30,31);6-11,30H,1-3,5H3,(H,28,29,31);6-11,23H,1-5H3,(H,28,29,30);6-11H,1-5H3,(H,27,28,29)
InChIKeyFMSFWAJLUDQYED-UHFFFAOYSA-N
XLogP49.88
TPSA738.13 Ų
H-Bond Donors9
H-Bond Acceptors49
Rotatable Bonds25
Heavy Atoms274
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003682.85
LogP ≤ 549.88
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1049

Analyze 4-[4-(6-chloroquinolin-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(7-chloroquinolin-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(2-isocyano-1H-indol-3-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methoxyquinolin-4-yl)-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methyl-3H-indol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methylquinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-[2-(trifluoromethyl)quinolin-4-yl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole with MolForge

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Launch Full Analysis

Related Compounds

N-[3-[[4-[4-(3-chloro-2-fluoroanilino)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazol-2-ium-2-yl]methyl]phenyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine
CID 123807682
Ethane;4-[8-methoxy-1-[(4-methoxyphenyl)methyl]-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-2-(oxan-4-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 144181621
bis[[[[(sulfanylidene-lambda4-sulfanylidene)-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfane;4-(4-chloro-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;1-methyl-3-(trifluoromethyl)pyrazol-4-amine
CID 157475018
bis[[[[(sulfanylidene-lambda4-sulfanylidene)-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfane;4-(4-chloro-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;methane;4-[6-methoxy-2-methyl-4-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;1-methyl-3-(trifluoromethyl)pyrazol-4-amine
CID 160241502
4-[2-[(3,3-difluoroazetidin-1-yl)methyl]-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-2-[(3,3-difluoropyrrolidin-1-yl)methyl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;N-[[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylethanamine;1-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]-N-methylmethanamine
CID 161073586
4-[4-(7-chloroquinolin-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(2-isocyano-1H-indol-3-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methoxyquinolin-4-yl)-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methyl-1H-indol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methylquinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-2-methyl-4-quinolin-8-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-[2-(trifluoromethyl)quinolin-4-yl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 161320155
4-[4-(6-chloroquinolin-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 90395728
4-[4-(7-chloroquinolin-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 90395740
4-[4-(6-chloroquinolin-4-yl)-6-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 90395815
4-[[4-(6-chloroquinolin-4-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-2-yl]methyl]morpholine
CID 90395824
1-[4-(6-chloroquinolin-4-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-2-yl]-N,N-dimethylmethanamine
CID 90395825
4-[4-(6-chloroquinolin-4-yl)-6-methoxy-2-(2-piperidin-1-ylethyl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 90395830

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-chloroquinolin-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(7-chloroquinolin-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(2-isocyano-1H-indol-3-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methoxyquinolin-4-yl)-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methyl-3H-indol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methylquinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-[2-(trifluoromethyl)quinolin-4-yl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[4-(6-chloroquinolin-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(7-chloroquinolin-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(2-isocyano-1H-indol-3-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methoxyquinolin-4-yl)-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methyl-3H-indol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methylquinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-[2-(trifluoromethyl)quinolin-4-yl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole (CID 158078959) is 4-[4-(6-chloroquinolin-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(7-chloroquinolin-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(2-isocyano-1H-indol-3-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methoxyquinolin-4-yl)-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methyl-3H-indol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methylquinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-[2-(trifluoromethyl)quinolin-4-yl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[4-(6-chloroquinolin-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(7-chloroquinolin-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(2-isocyano-1H-indol-3-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methoxyquinolin-4-yl)-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methyl-3H-indol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methylquinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-[2-(trifluoromethyl)quinolin-4-yl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[4-(6-chloroquinolin-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(7-chloroquinolin-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(2-isocyano-1H-indol-3-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methoxyquinolin-4-yl)-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methyl-3H-indol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methylquinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-[2-(trifluoromethyl)quinolin-4-yl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole is COc1cc(-c2nc(C)nc3[nH]c4cc(-c5c(C)noc5C)c(OC)cc4c23)c2ccccc2n1.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3c(C)nc4ccccn34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cc(C(F)(F)F)nc4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cc(C)nc4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccnc4cc(Cl)ccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccnc4ccc(Cl)cc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(C3C(C)=Nc4ccccc43)c12.[C-]#[N+]c1[nH]c2ccccc2c1-c1nc(C)nc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12.
What is the InChIKey of 4-[4-(6-chloroquinolin-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(7-chloroquinolin-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(2-isocyano-1H-indol-3-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methoxyquinolin-4-yl)-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methyl-3H-indol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methylquinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-[2-(trifluoromethyl)quinolin-4-yl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is FMSFWAJLUDQYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F3N5O2.C27H23N5O3.C27H23N5O2.2C26H20ClN5O2.C26H20N6O2.C26H23N5O2.C25H22N6O2/c1-12-23(13(2)37-35-12)18-9-20-17(10-21(18)36-4)24-25(31-14(3)32-26(24)34-20)16-11-22(27(28,29)30)33-19-8-6-5-7-15(16)19;1-13-24(14(2)35-32-13)19-10-21-18(11-22(19)33-4)25-26(28-15(3)29-27(25)31-21)17-12-23(34-5)30-20-9-7-6-8-16(17)20;1-13-10-18(17-8-6-7-9-21(17)28-13)26-25-19-12-23(33-5)20(24-14(2)32-34-15(24)3)11-22(19)31-27(25)30-16(4)29-26;1-12-23(13(2)34-32-12)19-10-21-18(11-22(19)33-4)24-25(29-14(3)30-26(24)31-21)16-7-8-28-20-6-5-15(27)9-17(16)20;1-12-23(13(2)34-32-12)19-10-21-18(11-22(19)33-4)24-25(29-14(3)30-26(24)31-21)17-7-8-28-20-9-15(27)5-6-16(17)20;1-12-21(13(2)34-32-12)17-10-19-16(11-20(17)33-5)23-24(28-14(3)29-26(23)31-19)22-15-8-6-7-9-18(15)30-25(22)27-4;1-12-23(16-8-6-7-9-19(16)27-12)25-24-17-11-21(32-5)18(22-13(2)31-33-14(22)3)10-20(17)30-26(24)29-15(4)28-25;1-12-21(14(3)33-30-12)17-10-18-16(11-19(17)32-5)22-23(27-15(4)28-25(22)29-18)24-13(2)26-20-8-6-7-9-31(20)24/h5-11H,1-4H3,(H,31,32,34);6-12H,1-5H3,(H,28,29,31);6-12H,1-5H3,(H,29,30,31);2*5-11H,1-4H3,(H,29,30,31);6-11,30H,1-3,5H3,(H,28,29,31);6-11,23H,1-5H3,(H,28,29,30);6-11H,1-5H3,(H,27,28,29).
What are the key properties of 4-[4-(6-chloroquinolin-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(7-chloroquinolin-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(2-isocyano-1H-indol-3-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methoxyquinolin-4-yl)-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methyl-3H-indol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methylquinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-[2-(trifluoromethyl)quinolin-4-yl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
4-[4-(6-chloroquinolin-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(7-chloroquinolin-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(2-isocyano-1H-indol-3-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methoxyquinolin-4-yl)-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methyl-3H-indol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methylquinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-[2-(trifluoromethyl)quinolin-4-yl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 3682.85 g/mol, XLogP of 49.88, 25 rotatable bonds, 9 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-chloroquinolin-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(7-chloroquinolin-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(2-isocyano-1H-indol-3-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methoxyquinolin-4-yl)-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methyl-3H-indol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(2-methylquinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-[2-(trifluoromethyl)quinolin-4-yl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 158078959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).