4-[4-(benzotriazol-1-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-4-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole;4-[4-(6-fluoro-2-methyl-1H-indol-3-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(1H-indol-3-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(1-methylindazol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(4-phenyl-1H-pyrrol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-pyrazolo[1,5-a]pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(4-pyridin-4-yl-1H-pyrrol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole

C195H156FN45O17 — CID 157316086

IUPAC4-[4-(benzotriazol-1-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-4-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole;4-[4-(6-fluoro-2-methyl-1H-indol-3-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(1H-indol-3-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(1-methylindazol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(4-phenyl-1H-pyrrol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-pyrazolo[1,5-a]pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(4-pyridin-4-yl-1H-pyrrol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cnn4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c(-c4ccncc4)noc3C)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c(C)[nH]c4cc(F)ccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c[nH]c4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c[nH]cc3-c3ccccc3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c[nH]cc3-c3ccncc3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3nn(C)c4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-n3nnc4ccccc43)c12
InChIInChI=1S/C26H21N5O2.C25H20FN5O2.C25H20N6O3.C25H20N6O2.C24H20N6O2.2C24H19N5O2.C22H17N7O2/c1-14-23(15(2)33-31-14)18-9-21-17(10-22(18)32-3)24-25(28-13-29-26(24)30-21)20-12-27-11-19(20)16-7-5-4-6-8-16;1-11-22(15-6-5-14(26)7-18(15)29-11)24-23-16-9-20(32-4)17(21-12(2)31-33-13(21)3)8-19(16)30-25(23)28-10-27-24;1-12-20(13(2)33-30-12)17-9-18-16(10-19(17)32-4)22-24(27-11-28-25(22)29-18)21-14(3)34-31-23(21)15-5-7-26-8-6-15;1-13-22(14(2)33-31-13)17-8-20-16(9-21(17)32-3)23-24(28-12-29-25(23)30-20)19-11-27-10-18(19)15-4-6-26-7-5-15;1-12-20(13(2)32-29-12)16-9-17-15(10-19(16)31-4)21-23(25-11-26-24(21)27-17)22-14-7-5-6-8-18(14)30(3)28-22;1-13-22(14(2)31-28-13)16-10-19-15(11-21(16)30-3)23-18(27-19)7-8-25-24(23)17-12-26-29-9-5-4-6-20(17)29;1-12-21(13(2)31-29-12)16-8-19-15(9-20(16)30-3)22-23(26-11-27-24(22)28-19)17-10-25-18-7-5-4-6-14(17)18;1-11-19(12(2)31-27-11)14-8-16-13(9-18(14)30-3)20-21(25-16)23-10-24-22(20)29-17-7-5-4-6-15(17)26-28-29/h4-13,27H,1-3H3,(H,28,29,30);5-10,29H,1-4H3,(H,27,28,30);5-11H,1-4H3,(H,27,28,29);4-12,27H,1-3H3,(H,28,29,30);5-11H,1-4H3,(H,25,26,27);4-12,27H,1-3H3;4-11,25H,1-3H3,(H,26,27,28);4-10H,1-3H3,(H,23,24,25)
InChIKeyBDPLKWMHXBBESV-UHFFFAOYSA-N
MW3420.69 g/mol
LogP42.83
Rot. Bonds27

About 4-[4-(benzotriazol-1-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-4-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole;4-[4-(6-fluoro-2-methyl-1H-indol-3-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(1H-indol-3-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(1-methylindazol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(4-phenyl-1H-pyrrol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-pyrazolo[1,5-a]pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(4-pyridin-4-yl-1H-pyrrol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole

4-[4-(benzotriazol-1-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-4-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole;4-[4-(6-fluoro-2-methyl-1H-indol-3-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(1H-indol-3-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(1-methylindazol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(4-phenyl-1H-pyrrol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-pyrazolo[1,5-a]pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(4-pyridin-4-yl-1H-pyrrol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 157316086) has the molecular formula C195H156FN45O17 and a molecular weight of 3420.69 g/mol. Its IUPAC name is 4-[4-(benzotriazol-1-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-4-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole;4-[4-(6-fluoro-2-methyl-1H-indol-3-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(1H-indol-3-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(1-methylindazol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(4-phenyl-1H-pyrrol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-pyrazolo[1,5-a]pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(4-pyridin-4-yl-1H-pyrrol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[4-(benzotriazol-1-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-4-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole;4-[4-(6-fluoro-2-methyl-1H-indol-3-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(1H-indol-3-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(1-methylindazol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(4-phenyl-1H-pyrrol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-pyrazolo[1,5-a]pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(4-pyridin-4-yl-1H-pyrrol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID157316086
Molecular FormulaC195H156FN45O17
Molecular Weight3420.69 g/mol
Exact Mass3418.27
IUPAC Name4-[4-(benzotriazol-1-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-4-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole;4-[4-(6-fluoro-2-methyl-1H-indol-3-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(1H-indol-3-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(1-methylindazol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(4-phenyl-1H-pyrrol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-pyrazolo[1,5-a]pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(4-pyridin-4-yl-1H-pyrrol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cnn4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c(-c4ccncc4)noc3C)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c(C)[nH]c4cc(F)ccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c[nH]c4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c[nH]cc3-c3ccccc3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c[nH]cc3-c3ccncc3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3nn(C)c4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-n3nnc4ccccc43)c12
InChIInChI=1S/C26H21N5O2.C25H20FN5O2.C25H20N6O3.C25H20N6O2.C24H20N6O2.2C24H19N5O2.C22H17N7O2/c1-14-23(15(2)33-31-14)18-9-21-17(10-22(18)32-3)24-25(28-13-29-26(24)30-21)20-12-27-11-19(20)16-7-5-4-6-8-16;1-11-22(15-6-5-14(26)7-18(15)29-11)24-23-16-9-20(32-4)17(21-12(2)31-33-13(21)3)8-19(16)30-25(23)28-10-27-24;1-12-20(13(2)33-30-12)17-9-18-16(10-19(17)32-4)22-24(27-11-28-25(22)29-18)21-14(3)34-31-23(21)15-5-7-26-8-6-15;1-13-22(14(2)33-31-13)17-8-20-16(9-21(17)32-3)23-24(28-12-29-25(23)30-20)19-11-27-10-18(19)15-4-6-26-7-5-15;1-12-20(13(2)32-29-12)16-9-17-15(10-19(16)31-4)21-23(25-11-26-24(21)27-17)22-14-7-5-6-8-18(14)30(3)28-22;1-13-22(14(2)31-28-13)16-10-19-15(11-21(16)30-3)23-18(27-19)7-8-25-24(23)17-12-26-29-9-5-4-6-20(17)29;1-12-21(13(2)31-29-12)16-8-19-15(9-20(16)30-3)22-23(26-11-27-24(22)28-19)17-10-25-18-7-5-4-6-14(17)18;1-11-19(12(2)31-27-11)14-8-16-13(9-18(14)30-3)20-21(25-16)23-10-24-22(20)29-17-7-5-4-6-15(17)26-28-29/h4-13,27H,1-3H3,(H,28,29,30);5-10,29H,1-4H3,(H,27,28,30);5-11H,1-4H3,(H,27,28,29);4-12,27H,1-3H3,(H,28,29,30);5-11H,1-4H3,(H,25,26,27);4-12,27H,1-3H3;4-11,25H,1-3H3,(H,26,27,28);4-10H,1-3H3,(H,23,24,25)
InChIKeyBDPLKWMHXBBESV-UHFFFAOYSA-N
XLogP42.83
TPSA782.55 Ų
H-Bond Donors12
H-Bond Acceptors50
Rotatable Bonds27
Heavy Atoms258
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003420.69
LogP ≤ 542.83
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1050

Analyze 4-[4-(benzotriazol-1-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-4-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole;4-[4-(6-fluoro-2-methyl-1H-indol-3-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(1H-indol-3-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(1-methylindazol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(4-phenyl-1H-pyrrol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-pyrazolo[1,5-a]pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(4-pyridin-4-yl-1H-pyrrol-3-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-[4-(5-fluoro-1H-indol-3-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 145966193
4-[6-methoxy-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 90395627
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-[6-methoxy-4-(2-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 90395644
7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluoro-1-methylindazol-3-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine
CID 118340530
7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(5-fluoro-1-methylindazol-3-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine
CID 118340596
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)-N-(7-fluoro-1-methylindazol-3-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine
CID 118340741
7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-fluoro-1-methylindazol-3-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine
CID 118340789
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

Frequently Asked Questions

What is the IUPAC name of 4-[4-(benzotriazol-1-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-4-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole;4-[4-(6-fluoro-2-methyl-1H-indol-3-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(1H-indol-3-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(1-methylindazol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(4-phenyl-1H-pyrrol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-pyrazolo[1,5-a]pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(4-pyridin-4-yl-1H-pyrrol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[4-(benzotriazol-1-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-4-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole;4-[4-(6-fluoro-2-methyl-1H-indol-3-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(1H-indol-3-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(1-methylindazol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(4-phenyl-1H-pyrrol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-pyrazolo[1,5-a]pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(4-pyridin-4-yl-1H-pyrrol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole (CID 157316086) is 4-[4-(benzotriazol-1-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-4-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole;4-[4-(6-fluoro-2-methyl-1H-indol-3-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(1H-indol-3-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(1-methylindazol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(4-phenyl-1H-pyrrol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-pyrazolo[1,5-a]pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(4-pyridin-4-yl-1H-pyrrol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[4-(benzotriazol-1-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-4-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole;4-[4-(6-fluoro-2-methyl-1H-indol-3-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(1H-indol-3-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(1-methylindazol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(4-phenyl-1H-pyrrol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-pyrazolo[1,5-a]pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(4-pyridin-4-yl-1H-pyrrol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[4-(benzotriazol-1-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-4-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole;4-[4-(6-fluoro-2-methyl-1H-indol-3-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(1H-indol-3-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(1-methylindazol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(4-phenyl-1H-pyrrol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-pyrazolo[1,5-a]pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(4-pyridin-4-yl-1H-pyrrol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole is COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cnn4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c(-c4ccncc4)noc3C)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c(C)[nH]c4cc(F)ccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c[nH]c4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c[nH]cc3-c3ccccc3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c[nH]cc3-c3ccncc3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3nn(C)c4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-n3nnc4ccccc43)c12.
What is the InChIKey of 4-[4-(benzotriazol-1-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-4-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole;4-[4-(6-fluoro-2-methyl-1H-indol-3-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(1H-indol-3-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(1-methylindazol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(4-phenyl-1H-pyrrol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-pyrazolo[1,5-a]pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(4-pyridin-4-yl-1H-pyrrol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is BDPLKWMHXBBESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O2.C25H20FN5O2.C25H20N6O3.C25H20N6O2.C24H20N6O2.2C24H19N5O2.C22H17N7O2/c1-14-23(15(2)33-31-14)18-9-21-17(10-22(18)32-3)24-25(28-13-29-26(24)30-21)20-12-27-11-19(20)16-7-5-4-6-8-16;1-11-22(15-6-5-14(26)7-18(15)29-11)24-23-16-9-20(32-4)17(21-12(2)31-33-13(21)3)8-19(16)30-25(23)28-10-27-24;1-12-20(13(2)33-30-12)17-9-18-16(10-19(17)32-4)22-24(27-11-28-25(22)29-18)21-14(3)34-31-23(21)15-5-7-26-8-6-15;1-13-22(14(2)33-31-13)17-8-20-16(9-21(17)32-3)23-24(28-12-29-25(23)30-20)19-11-27-10-18(19)15-4-6-26-7-5-15;1-12-20(13(2)32-29-12)16-9-17-15(10-19(16)31-4)21-23(25-11-26-24(21)27-17)22-14-7-5-6-8-18(14)30(3)28-22;1-13-22(14(2)31-28-13)16-10-19-15(11-21(16)30-3)23-18(27-19)7-8-25-24(23)17-12-26-29-9-5-4-6-20(17)29;1-12-21(13(2)31-29-12)16-8-19-15(9-20(16)30-3)22-23(26-11-27-24(22)28-19)17-10-25-18-7-5-4-6-14(17)18;1-11-19(12(2)31-27-11)14-8-16-13(9-18(14)30-3)20-21(25-16)23-10-24-22(20)29-17-7-5-4-6-15(17)26-28-29/h4-13,27H,1-3H3,(H,28,29,30);5-10,29H,1-4H3,(H,27,28,30);5-11H,1-4H3,(H,27,28,29);4-12,27H,1-3H3,(H,28,29,30);5-11H,1-4H3,(H,25,26,27);4-12,27H,1-3H3;4-11,25H,1-3H3,(H,26,27,28);4-10H,1-3H3,(H,23,24,25).
What are the key properties of 4-[4-(benzotriazol-1-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-4-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole;4-[4-(6-fluoro-2-methyl-1H-indol-3-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(1H-indol-3-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(1-methylindazol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(4-phenyl-1H-pyrrol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-pyrazolo[1,5-a]pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(4-pyridin-4-yl-1H-pyrrol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
4-[4-(benzotriazol-1-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-4-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole;4-[4-(6-fluoro-2-methyl-1H-indol-3-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(1H-indol-3-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(1-methylindazol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(4-phenyl-1H-pyrrol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-pyrazolo[1,5-a]pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(4-pyridin-4-yl-1H-pyrrol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 3420.69 g/mol, XLogP of 42.83, 27 rotatable bonds, 12 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(benzotriazol-1-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-4-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole;4-[4-(6-fluoro-2-methyl-1H-indol-3-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(1H-indol-3-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(1-methylindazol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(4-phenyl-1H-pyrrol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-pyrazolo[1,5-a]pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(4-pyridin-4-yl-1H-pyrrol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 157316086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).