4-[4-(benzimidazol-1-yl)-6-methoxy-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-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-1-benzofuran-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylquinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-naphthalen-1-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole

C197H155N41O17 — CID 159092129

IUPAC4-[4-(benzimidazol-1-yl)-6-methoxy-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-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-1-benzofuran-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylquinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-naphthalen-1-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c(C)oc4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3cc(C)nc4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3cccc4ccccc34)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(-n3c(C)nc4ccccc43)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-n3cnc4ccccc43)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-n3ncc4ccccc43)c12
InChIInChI=1S/C26H21N5O2.C26H20N4O2.2C25H19N5O2.C25H20N4O3.C24H20N6O2.2C23H18N6O2/c1-13-9-17(16-7-5-6-8-20(16)29-13)25-24-18-11-22(32-4)19(23-14(2)31-33-15(23)3)10-21(18)30-26(24)28-12-27-25;1-14-23(15(2)32-30-14)20-11-21-19(12-22(20)31-3)24-25(27-13-28-26(24)29-21)18-10-6-8-16-7-4-5-9-17(16)18;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;1-12-21(14(3)32-29-12)17-9-18-16(10-20(17)30-4)23-24(26-11-27-25(23)28-18)22-13(2)31-19-8-6-5-7-15(19)22;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)15-8-17-14(9-19(15)30-3)21-22(27-17)24-10-25-23(21)29-11-26-16-6-4-5-7-18(16)29;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/h5-12H,1-4H3,(H,27,28,30);4-13H,1-3H3,(H,27,28,29);2*4-12H,1-3H3,(H,27,28,29);5-11H,1-4H3,(H,26,27,28);5-11H,1-4H3,(H,25,26,28);2*4-11H,1-3H3,(H,24,25,27)
InChIKeyKCESUYYKQWICEJ-UHFFFAOYSA-N
MW3368.68 g/mol
LogP43.95
Rot. Bonds24

About 4-[4-(benzimidazol-1-yl)-6-methoxy-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-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-1-benzofuran-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylquinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-naphthalen-1-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole

4-[4-(benzimidazol-1-yl)-6-methoxy-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-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-1-benzofuran-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylquinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-naphthalen-1-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole (PubChem CID 159092129) has the molecular formula C197H155N41O17 and a molecular weight of 3368.68 g/mol. Its IUPAC name is 4-[4-(benzimidazol-1-yl)-6-methoxy-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-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-1-benzofuran-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylquinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-naphthalen-1-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[4-(benzimidazol-1-yl)-6-methoxy-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-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-1-benzofuran-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylquinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-naphthalen-1-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
PubChem CID159092129
Molecular FormulaC197H155N41O17
Molecular Weight3368.68 g/mol
Exact Mass3366.25
IUPAC Name4-[4-(benzimidazol-1-yl)-6-methoxy-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-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-1-benzofuran-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylquinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-naphthalen-1-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c(C)oc4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3cc(C)nc4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3cccc4ccccc34)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(-n3c(C)nc4ccccc43)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-n3cnc4ccccc43)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-n3ncc4ccccc43)c12
InChIInChI=1S/C26H21N5O2.C26H20N4O2.2C25H19N5O2.C25H20N4O3.C24H20N6O2.2C23H18N6O2/c1-13-9-17(16-7-5-6-8-20(16)29-13)25-24-18-11-22(32-4)19(23-14(2)31-33-15(23)3)10-21(18)30-26(24)28-12-27-25;1-14-23(15(2)32-30-14)20-11-21-19(12-22(20)31-3)24-25(27-13-28-26(24)29-21)18-10-6-8-16-7-4-5-9-17(16)18;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;1-12-21(14(3)32-29-12)17-9-18-16(10-20(17)30-4)23-24(26-11-27-25(23)28-18)22-13(2)31-19-8-6-5-7-15(19)22;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)15-8-17-14(9-19(15)30-3)21-22(27-17)24-10-25-23(21)29-11-26-16-6-4-5-7-18(16)29;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/h5-12H,1-4H3,(H,27,28,30);4-13H,1-3H3,(H,27,28,29);2*4-12H,1-3H3,(H,27,28,29);5-11H,1-4H3,(H,26,27,28);5-11H,1-4H3,(H,25,26,28);2*4-11H,1-3H3,(H,24,25,27)
InChIKeyKCESUYYKQWICEJ-UHFFFAOYSA-N
XLogP43.95
TPSA719.91 Ų
H-Bond Donors8
H-Bond Acceptors50
Rotatable Bonds24
Heavy Atoms255
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003368.68
LogP ≤ 543.95
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1050

Analyze 4-[4-(benzimidazol-1-yl)-6-methoxy-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-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-1-benzofuran-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylquinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-naphthalen-1-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-naphthalen-1-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
CID 129212418
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
4-[6-methoxy-4-(2-methyl-1H-indol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 90395619
2-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]quinolin-2-yl]oxy-N,N-dimethylethanamine
CID 90395813
N-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]quinolin-2-yl]-N',N'-diethylethane-1,2-diamine
CID 90388137
3-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-N,N-diethylaniline
CID 90395812
4-[6-methoxy-4-(2-methyl-1-benzofuran-3-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 137245614
2-[4-chloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-2-yl]propan-2-ol;2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-2-yl]propan-2-ol
CID 161253514
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indole-2-carboxylic acid;[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-2-yl]-(4-hydroxypiperidin-1-yl)methanone;piperidin-4-ol
CID 158274794
4-[1-(2-ethylphenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 123920149
4-[6-methoxy-2-methyl-4-(3-pyrrolidin-1-ylphenyl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 90388512

Frequently Asked Questions

What is the IUPAC name of 4-[4-(benzimidazol-1-yl)-6-methoxy-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-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-1-benzofuran-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylquinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-naphthalen-1-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[4-(benzimidazol-1-yl)-6-methoxy-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-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-1-benzofuran-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylquinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-naphthalen-1-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole (CID 159092129) is 4-[4-(benzimidazol-1-yl)-6-methoxy-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-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-1-benzofuran-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylquinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-naphthalen-1-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[4-(benzimidazol-1-yl)-6-methoxy-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-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-1-benzofuran-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylquinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-naphthalen-1-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[4-(benzimidazol-1-yl)-6-methoxy-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-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-1-benzofuran-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylquinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-naphthalen-1-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)oc4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3cc(C)nc4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3cccc4ccccc34)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(-n3c(C)nc4ccccc43)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-n3cnc4ccccc43)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-n3ncc4ccccc43)c12.
What is the InChIKey of 4-[4-(benzimidazol-1-yl)-6-methoxy-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-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-1-benzofuran-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylquinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-naphthalen-1-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is KCESUYYKQWICEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O2.C26H20N4O2.2C25H19N5O2.C25H20N4O3.C24H20N6O2.2C23H18N6O2/c1-13-9-17(16-7-5-6-8-20(16)29-13)25-24-18-11-22(32-4)19(23-14(2)31-33-15(23)3)10-21(18)30-26(24)28-12-27-25;1-14-23(15(2)32-30-14)20-11-21-19(12-22(20)31-3)24-25(27-13-28-26(24)29-21)18-10-6-8-16-7-4-5-9-17(16)18;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;1-12-21(14(3)32-29-12)17-9-18-16(10-20(17)30-4)23-24(26-11-27-25(23)28-18)22-13(2)31-19-8-6-5-7-15(19)22;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)15-8-17-14(9-19(15)30-3)21-22(27-17)24-10-25-23(21)29-11-26-16-6-4-5-7-18(16)29;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/h5-12H,1-4H3,(H,27,28,30);4-13H,1-3H3,(H,27,28,29);2*4-12H,1-3H3,(H,27,28,29);5-11H,1-4H3,(H,26,27,28);5-11H,1-4H3,(H,25,26,28);2*4-11H,1-3H3,(H,24,25,27).
What are the key properties of 4-[4-(benzimidazol-1-yl)-6-methoxy-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-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-1-benzofuran-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylquinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-naphthalen-1-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole?
4-[4-(benzimidazol-1-yl)-6-methoxy-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-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-1-benzofuran-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylquinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-naphthalen-1-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 3368.68 g/mol, XLogP of 43.95, 24 rotatable bonds, 8 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(benzimidazol-1-yl)-6-methoxy-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-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-1-benzofuran-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylquinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-naphthalen-1-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 159092129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).