4-(4-indazol-1-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-4-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-5-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-8-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylbenzimidazol-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-quinolin-5-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-quinolin-8-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole

C196H153N43O16 — CID 157272957

IUPAC4-(4-indazol-1-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-4-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-5-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-8-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylbenzimidazol-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-quinolin-5-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-quinolin-8-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c(C)[nH]c4ccncc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3cccc4cccnc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3cccc4ccncc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3cccc4cnccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3cccc4ncccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3cncc4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-n3c(C)nc4ccccc43)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-n3ncc4ccccc43)c12
InChIInChI=1S/5C25H19N5O2.2C24H20N6O2.C23H18N6O2/c1-13-22(14(2)32-30-13)18-10-20-17(11-21(18)31-3)23-24(27-12-28-25(23)29-20)16-6-4-8-19-15(16)7-5-9-26-19;1-13-21(14(2)32-30-13)18-10-19-17(11-20(18)31-3)22-24(27-12-28-25(22)29-19)16-8-4-6-15-7-5-9-26-23(15)16;1-13-22(14(2)32-30-13)19-9-20-18(10-21(19)31-3)23-24(27-12-28-25(23)29-20)17-6-4-5-15-11-26-8-7-16(15)17;1-13-22(14(2)32-30-13)18-9-20-17(10-21(18)31-3)23-24(27-12-28-25(23)29-20)16-6-4-5-15-7-8-26-11-19(15)16;1-13-22(14(2)32-30-13)18-8-20-17(9-21(18)31-3)23-24(27-12-28-25(23)29-20)19-11-26-10-15-6-4-5-7-16(15)19;1-11-21(16-9-25-6-5-17(16)28-11)23-22-14-8-19(31-4)15(20-12(2)30-32-13(20)3)7-18(14)29-24(22)27-10-26-23;1-12-21(13(2)32-29-12)16-9-18-15(10-20(16)31-4)22-23(28-18)25-11-26-24(22)30-14(3)27-17-7-5-6-8-19(17)30;1-12-20(13(2)31-28-12)16-8-17-15(9-19(16)30-3)21-22(27-17)24-11-25-23(21)29-18-7-5-4-6-14(18)10-26-29/h5*4-12H,1-3H3,(H,27,28,29);5-10,28H,1-4H3,(H,26,27,29);5-11H,1-4H3,(H,25,26,28);4-11H,1-3H3,(H,24,25,27)
InChIKeyAYTFHXLPJUCJMQ-UHFFFAOYSA-N
MW3366.66 g/mol
LogP43.05
Rot. Bonds24

About 4-(4-indazol-1-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-4-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-5-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-8-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylbenzimidazol-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-quinolin-5-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-quinolin-8-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole

4-(4-indazol-1-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-4-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-5-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-8-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylbenzimidazol-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-quinolin-5-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-quinolin-8-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole (PubChem CID 157272957) has the molecular formula C196H153N43O16 and a molecular weight of 3366.66 g/mol. Its IUPAC name is 4-(4-indazol-1-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-4-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-5-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-8-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylbenzimidazol-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-quinolin-5-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-quinolin-8-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(4-indazol-1-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-4-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-5-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-8-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylbenzimidazol-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-quinolin-5-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-quinolin-8-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
PubChem CID157272957
Molecular FormulaC196H153N43O16
Molecular Weight3366.66 g/mol
Exact Mass3364.25
IUPAC Name4-(4-indazol-1-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-4-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-5-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-8-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylbenzimidazol-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-quinolin-5-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-quinolin-8-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c(C)[nH]c4ccncc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3cccc4cccnc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3cccc4ccncc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3cccc4cnccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3cccc4ncccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3cncc4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-n3c(C)nc4ccccc43)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-n3ncc4ccccc43)c12
InChIInChI=1S/5C25H19N5O2.2C24H20N6O2.C23H18N6O2/c1-13-22(14(2)32-30-13)18-10-20-17(11-21(18)31-3)23-24(27-12-28-25(23)29-20)16-6-4-8-19-15(16)7-5-9-26-19;1-13-21(14(2)32-30-13)18-10-19-17(11-20(18)31-3)22-24(27-12-28-25(22)29-19)16-8-4-6-15-7-5-9-26-23(15)16;1-13-22(14(2)32-30-13)19-9-20-18(10-21(19)31-3)23-24(27-12-28-25(23)29-20)17-6-4-5-15-11-26-8-7-16(15)17;1-13-22(14(2)32-30-13)18-9-20-17(10-21(18)31-3)23-24(27-12-28-25(23)29-20)16-6-4-5-15-7-8-26-11-19(15)16;1-13-22(14(2)32-30-13)18-8-20-17(9-21(18)31-3)23-24(27-12-28-25(23)29-20)19-11-26-10-15-6-4-5-7-16(15)19;1-11-21(16-9-25-6-5-17(16)28-11)23-22-14-8-19(31-4)15(20-12(2)30-32-13(20)3)7-18(14)29-24(22)27-10-26-23;1-12-21(13(2)32-29-12)16-9-18-15(10-20(16)31-4)22-23(28-18)25-11-26-24(22)30-14(3)27-17-7-5-6-8-19(17)30;1-12-20(13(2)31-28-12)16-8-17-15(9-19(16)30-3)21-22(27-17)24-11-25-23(21)29-18-7-5-4-6-14(18)10-26-29/h5*4-12H,1-3H3,(H,27,28,29);5-10,28H,1-4H3,(H,26,27,29);5-11H,1-4H3,(H,25,26,28);4-11H,1-3H3,(H,24,25,27)
InChIKeyAYTFHXLPJUCJMQ-UHFFFAOYSA-N
XLogP43.05
TPSA743.41 Ų
H-Bond Donors9
H-Bond Acceptors50
Rotatable Bonds24
Heavy Atoms255
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003366.66
LogP ≤ 543.05
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1050

Analyze 4-(4-indazol-1-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-4-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-5-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-8-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylbenzimidazol-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-quinolin-5-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-quinolin-8-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

4-[6-methoxy-4-(1-methylindazol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 90395643
4-(4-isoquinolin-8-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
CID 90395718
4-(4-isoquinolin-5-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
CID 90395727
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methylpyrazolo[4,3-b]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-4-amine
CID 118340646
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methylpyrazolo[4,3-c]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-4-amine
CID 118340714
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-4-amine
CID 118340834
4-(6-methoxy-4-pyrazolo[1,5-a]pyridin-3-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
CID 145964377
4-[4-(benzotriazol-1-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 90395632
4-[4-(6-fluoroquinolin-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 90395809
4-[4-(6-fluoroquinolin-4-yl)-6-methoxy-2-[2-(4-methylpiperazin-1-yl)ethyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 117636804
7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(fluoromethyl)-1-methylpyrazol-4-yl]-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine
CID 118348570
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

Frequently Asked Questions

What is the IUPAC name of 4-(4-indazol-1-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-4-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-5-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-8-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylbenzimidazol-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-quinolin-5-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-quinolin-8-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(4-indazol-1-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-4-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-5-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-8-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylbenzimidazol-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-quinolin-5-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-quinolin-8-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole (CID 157272957) is 4-(4-indazol-1-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-4-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-5-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-8-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylbenzimidazol-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-quinolin-5-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-quinolin-8-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-(4-indazol-1-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-4-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-5-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-8-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylbenzimidazol-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-quinolin-5-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-quinolin-8-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(4-indazol-1-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-4-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-5-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-8-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylbenzimidazol-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-quinolin-5-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-quinolin-8-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole is COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c(C)[nH]c4ccncc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3cccc4cccnc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3cccc4ccncc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3cccc4cnccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3cccc4ncccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3cncc4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-n3c(C)nc4ccccc43)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-n3ncc4ccccc43)c12.
What is the InChIKey of 4-(4-indazol-1-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-4-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-5-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-8-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylbenzimidazol-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-quinolin-5-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-quinolin-8-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is AYTFHXLPJUCJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/5C25H19N5O2.2C24H20N6O2.C23H18N6O2/c1-13-22(14(2)32-30-13)18-10-20-17(11-21(18)31-3)23-24(27-12-28-25(23)29-20)16-6-4-8-19-15(16)7-5-9-26-19;1-13-21(14(2)32-30-13)18-10-19-17(11-20(18)31-3)22-24(27-12-28-25(22)29-19)16-8-4-6-15-7-5-9-26-23(15)16;1-13-22(14(2)32-30-13)19-9-20-18(10-21(19)31-3)23-24(27-12-28-25(23)29-20)17-6-4-5-15-11-26-8-7-16(15)17;1-13-22(14(2)32-30-13)18-9-20-17(10-21(18)31-3)23-24(27-12-28-25(23)29-20)16-6-4-5-15-7-8-26-11-19(15)16;1-13-22(14(2)32-30-13)18-8-20-17(9-21(18)31-3)23-24(27-12-28-25(23)29-20)19-11-26-10-15-6-4-5-7-16(15)19;1-11-21(16-9-25-6-5-17(16)28-11)23-22-14-8-19(31-4)15(20-12(2)30-32-13(20)3)7-18(14)29-24(22)27-10-26-23;1-12-21(13(2)32-29-12)16-9-18-15(10-20(16)31-4)22-23(28-18)25-11-26-24(22)30-14(3)27-17-7-5-6-8-19(17)30;1-12-20(13(2)31-28-12)16-8-17-15(9-19(16)30-3)21-22(27-17)24-11-25-23(21)29-18-7-5-4-6-14(18)10-26-29/h5*4-12H,1-3H3,(H,27,28,29);5-10,28H,1-4H3,(H,26,27,29);5-11H,1-4H3,(H,25,26,28);4-11H,1-3H3,(H,24,25,27).
What are the key properties of 4-(4-indazol-1-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-4-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-5-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-8-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylbenzimidazol-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-quinolin-5-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-quinolin-8-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole?
4-(4-indazol-1-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-4-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-5-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-8-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylbenzimidazol-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-quinolin-5-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-quinolin-8-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 3366.66 g/mol, XLogP of 43.05, 24 rotatable bonds, 9 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-indazol-1-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-4-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-5-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-8-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylbenzimidazol-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-quinolin-5-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-quinolin-8-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 157272957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).