4-(4-chloro-2,6-dimethyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(2,6-dimethyl-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-4-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-5-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-8-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(6-methylquinolin-5-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-2-methyl-4-quinolin-3-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-2-methyl-4-quinolin-5-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole

C200H164ClN39O14 — CID 157340898

IUPAC4-(4-chloro-2,6-dimethyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(2,6-dimethyl-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-4-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-5-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-8-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(6-methylquinolin-5-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-2-methyl-4-quinolin-3-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-2-methyl-4-quinolin-5-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3c(C)ccc4ncccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cccc4ccncc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cccc4cnccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cccc4ncccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cnc4ccccc4c3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cncc4ccccc34)c12.Cc1nc(-c2ccnc3ccccc23)c2c(n1)[nH]c1cc(-c3c(C)noc3C)c(C)cc12.Cc1nc(Cl)c2c(n1)[nH]c1cc(-c3c(C)noc3C)c(C)cc12
InChIInChI=1S/C27H23N5O2.5C26H21N5O2.C26H21N5O.C17H15ClN4O/c1-13-8-9-20-17(7-6-10-28-20)23(13)26-25-18-12-22(33-5)19(24-14(2)32-34-15(24)3)11-21(18)31-27(25)30-16(4)29-26;1-13-23(14(2)33-31-13)19-11-21-18(12-22(19)32-4)24-25(28-15(3)29-26(24)30-21)17-7-5-9-20-16(17)8-6-10-27-20;1-13-23(14(2)33-31-13)20-10-21-19(11-22(20)32-4)24-25(28-15(3)29-26(24)30-21)18-7-5-6-16-12-27-9-8-17(16)18;1-13-23(14(2)33-31-13)19-10-21-18(11-22(19)32-4)24-25(28-15(3)29-26(24)30-21)17-7-5-6-16-8-9-27-12-20(16)17;1-13-23(14(2)33-31-13)19-9-21-18(10-22(19)32-4)24-25(28-15(3)29-26(24)30-21)20-12-27-11-16-7-5-6-8-17(16)20;1-13-23(14(2)33-31-13)19-10-21-18(11-22(19)32-4)24-25(28-15(3)29-26(24)30-21)17-9-16-7-5-6-8-20(16)27-12-17;1-13-11-20-22(12-19(13)23-14(2)31-32-15(23)3)30-26-24(20)25(28-16(4)29-26)18-9-10-27-21-8-6-5-7-17(18)21;1-7-5-12-13(6-11(7)14-8(2)22-23-9(14)3)21-17-15(12)16(18)19-10(4)20-17/h6-12H,1-5H3,(H,29,30,31);5*5-12H,1-4H3,(H,28,29,30);5-12H,1-4H3,(H,28,29,30);5-6H,1-4H3,(H,19,20,21)
InChIKeyBGJNOBTXFCEKKM-UHFFFAOYSA-N
MW3373.22 g/mol
LogP46.67
Rot. Bonds21

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

4-(4-chloro-2,6-dimethyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(2,6-dimethyl-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-4-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-5-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-8-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(6-methylquinolin-5-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-2-methyl-4-quinolin-3-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-2-methyl-4-quinolin-5-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole (PubChem CID 157340898) has the molecular formula C200H164ClN39O14 and a molecular weight of 3373.22 g/mol. Its IUPAC name is 4-(4-chloro-2,6-dimethyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(2,6-dimethyl-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-4-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-5-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-8-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(6-methylquinolin-5-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-2-methyl-4-quinolin-3-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-2-methyl-4-quinolin-5-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(4-chloro-2,6-dimethyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(2,6-dimethyl-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-4-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-5-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-8-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(6-methylquinolin-5-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-2-methyl-4-quinolin-3-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-2-methyl-4-quinolin-5-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
PubChem CID157340898
Molecular FormulaC200H164ClN39O14
Molecular Weight3373.22 g/mol
Exact Mass3370.30
IUPAC Name4-(4-chloro-2,6-dimethyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(2,6-dimethyl-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-4-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-5-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-8-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(6-methylquinolin-5-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-2-methyl-4-quinolin-3-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-2-methyl-4-quinolin-5-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3c(C)ccc4ncccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cccc4ccncc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cccc4cnccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cccc4ncccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cnc4ccccc4c3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cncc4ccccc34)c12.Cc1nc(-c2ccnc3ccccc23)c2c(n1)[nH]c1cc(-c3c(C)noc3C)c(C)cc12.Cc1nc(Cl)c2c(n1)[nH]c1cc(-c3c(C)noc3C)c(C)cc12
InChIInChI=1S/C27H23N5O2.5C26H21N5O2.C26H21N5O.C17H15ClN4O/c1-13-8-9-20-17(7-6-10-28-20)23(13)26-25-18-12-22(33-5)19(24-14(2)32-34-15(24)3)11-21(18)31-27(25)30-16(4)29-26;1-13-23(14(2)33-31-13)19-11-21-18(12-22(19)32-4)24-25(28-15(3)29-26(24)30-21)17-7-5-9-20-16(17)8-6-10-27-20;1-13-23(14(2)33-31-13)20-10-21-19(11-22(20)32-4)24-25(28-15(3)29-26(24)30-21)18-7-5-6-16-12-27-9-8-17(16)18;1-13-23(14(2)33-31-13)19-10-21-18(11-22(19)32-4)24-25(28-15(3)29-26(24)30-21)17-7-5-6-16-8-9-27-12-20(16)17;1-13-23(14(2)33-31-13)19-9-21-18(10-22(19)32-4)24-25(28-15(3)29-26(24)30-21)20-12-27-11-16-7-5-6-8-17(16)20;1-13-23(14(2)33-31-13)19-10-21-18(11-22(19)32-4)24-25(28-15(3)29-26(24)30-21)17-9-16-7-5-6-8-20(16)27-12-17;1-13-11-20-22(12-19(13)23-14(2)31-32-15(23)3)30-26-24(20)25(28-16(4)29-26)18-9-10-27-21-8-6-5-7-17(18)21;1-7-5-12-13(6-11(7)14-8(2)22-23-9(14)3)21-17-15(12)16(18)19-10(4)20-17/h6-12H,1-5H3,(H,29,30,31);5*5-12H,1-4H3,(H,28,29,30);5-12H,1-4H3,(H,28,29,30);5-6H,1-4H3,(H,19,20,21)
InChIKeyBGJNOBTXFCEKKM-UHFFFAOYSA-N
XLogP46.67
TPSA686.41 Ų
H-Bond Donors8
H-Bond Acceptors45
Rotatable Bonds21
Heavy Atoms254
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003373.22
LogP ≤ 546.67
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1045

Analyze 4-(4-chloro-2,6-dimethyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(2,6-dimethyl-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-4-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-5-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-8-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(6-methylquinolin-5-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-2-methyl-4-quinolin-3-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-2-methyl-4-quinolin-5-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-2-methyl-4-(quinolin-4-yl)-9H-pyrimido(4,5-b)indol-7-yl)-3,5-dimethylisoxazole
CID 90395752
4-[4-(1H-indol-3-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 90395625
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-4-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
CID 90395720
4-(6-methoxy-2-methyl-4-quinolin-5-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
CID 90395721
4-(6-methoxy-2-methyl-4-quinolin-3-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
CID 90395722
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-2-methyl-4-quinolin-8-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
CID 90395738
4-[6-methoxy-2-methyl-4-(3-methylquinolin-5-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 145967245
US9675697, Cpd. No. 316
CID 117636885
9H-Pyrimido[4,5-b]indole, 7-(3,5-dimethyl-4-isoxazolyl)-4-(6-fluoro-4-quinolinyl)-6-methoxy-2-methyl-
CID 90395731
4-[4-(7-fluoroquinolin-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 90395737

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2,6-dimethyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(2,6-dimethyl-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-4-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-5-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-8-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(6-methylquinolin-5-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-2-methyl-4-quinolin-3-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-2-methyl-4-quinolin-5-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(4-chloro-2,6-dimethyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(2,6-dimethyl-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-4-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-5-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-8-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(6-methylquinolin-5-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-2-methyl-4-quinolin-3-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-2-methyl-4-quinolin-5-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole (CID 157340898) is 4-(4-chloro-2,6-dimethyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(2,6-dimethyl-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-4-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-5-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-8-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(6-methylquinolin-5-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-2-methyl-4-quinolin-3-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-2-methyl-4-quinolin-5-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-(4-chloro-2,6-dimethyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(2,6-dimethyl-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-4-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-5-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-8-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(6-methylquinolin-5-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-2-methyl-4-quinolin-3-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-2-methyl-4-quinolin-5-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(4-chloro-2,6-dimethyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(2,6-dimethyl-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-4-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-5-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-8-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(6-methylquinolin-5-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-2-methyl-4-quinolin-3-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-2-methyl-4-quinolin-5-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole is COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3c(C)ccc4ncccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cccc4ccncc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cccc4cnccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cccc4ncccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cnc4ccccc4c3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cncc4ccccc34)c12.Cc1nc(-c2ccnc3ccccc23)c2c(n1)[nH]c1cc(-c3c(C)noc3C)c(C)cc12.Cc1nc(Cl)c2c(n1)[nH]c1cc(-c3c(C)noc3C)c(C)cc12.
What is the InChIKey of 4-(4-chloro-2,6-dimethyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(2,6-dimethyl-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-4-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-5-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-8-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(6-methylquinolin-5-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-2-methyl-4-quinolin-3-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-2-methyl-4-quinolin-5-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is BGJNOBTXFCEKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O2.5C26H21N5O2.C26H21N5O.C17H15ClN4O/c1-13-8-9-20-17(7-6-10-28-20)23(13)26-25-18-12-22(33-5)19(24-14(2)32-34-15(24)3)11-21(18)31-27(25)30-16(4)29-26;1-13-23(14(2)33-31-13)19-11-21-18(12-22(19)32-4)24-25(28-15(3)29-26(24)30-21)17-7-5-9-20-16(17)8-6-10-27-20;1-13-23(14(2)33-31-13)20-10-21-19(11-22(20)32-4)24-25(28-15(3)29-26(24)30-21)18-7-5-6-16-12-27-9-8-17(16)18;1-13-23(14(2)33-31-13)19-10-21-18(11-22(19)32-4)24-25(28-15(3)29-26(24)30-21)17-7-5-6-16-8-9-27-12-20(16)17;1-13-23(14(2)33-31-13)19-9-21-18(10-22(19)32-4)24-25(28-15(3)29-26(24)30-21)20-12-27-11-16-7-5-6-8-17(16)20;1-13-23(14(2)33-31-13)19-10-21-18(11-22(19)32-4)24-25(28-15(3)29-26(24)30-21)17-9-16-7-5-6-8-20(16)27-12-17;1-13-11-20-22(12-19(13)23-14(2)31-32-15(23)3)30-26-24(20)25(28-16(4)29-26)18-9-10-27-21-8-6-5-7-17(18)21;1-7-5-12-13(6-11(7)14-8(2)22-23-9(14)3)21-17-15(12)16(18)19-10(4)20-17/h6-12H,1-5H3,(H,29,30,31);5*5-12H,1-4H3,(H,28,29,30);5-12H,1-4H3,(H,28,29,30);5-6H,1-4H3,(H,19,20,21).
What are the key properties of 4-(4-chloro-2,6-dimethyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(2,6-dimethyl-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-4-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-5-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-8-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(6-methylquinolin-5-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-2-methyl-4-quinolin-3-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-2-methyl-4-quinolin-5-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole?
4-(4-chloro-2,6-dimethyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(2,6-dimethyl-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-4-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-5-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-8-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(6-methylquinolin-5-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-2-methyl-4-quinolin-3-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-2-methyl-4-quinolin-5-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 3373.22 g/mol, XLogP of 46.67, 21 rotatable bonds, 8 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2,6-dimethyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(2,6-dimethyl-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-4-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-5-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-8-yl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(6-methylquinolin-5-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-2-methyl-4-quinolin-3-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-2-methyl-4-quinolin-5-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 157340898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).