4-[4-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(3-cyclopropyl-5-methyl-2H-pyrrol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N,N-dimethyl-9H-pyrimido[4,5-b]indol-4-amine;4-[4-(1,3-dimethyl-5-phenylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(1,5-dimethyl-3-phenylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;methane;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-4-(3-methylphenyl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;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

C194H181N43O16 — CID 158172257

IUPAC4-[4-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(3-cyclopropyl-5-methyl-2H-pyrrol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N,N-dimethyl-9H-pyrimido[4,5-b]indol-4-amine;4-[4-(1,3-dimethyl-5-phenylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(1,5-dimethyl-3-phenylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;methane;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-4-(3-methylphenyl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;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
SMILESC.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3c(C)[nH]c4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c(-c4ccccc4)nn(C)c3C)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c(C)[nH]c4cnccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c(C)nn(C)c3-c3ccccc3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c(C4CC4)nn(C)c3C)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3cccc(C)c3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(C3=C(C4CC4)CN=C3C)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(N(C)C)c12
InChIInChI=1S/2C27H24N6O2.C26H23N5O2.C24H24N6O2.C24H20N6O2.C24H23N5O2.C23H20N4O2.C18H19N5O2.CH4/c1-14-23(26(33(4)31-14)17-9-7-6-8-10-17)25-24-18-12-21(34-5)19(22-15(2)32-35-16(22)3)11-20(18)30-27(24)29-13-28-25;1-14-22(16(3)35-32-14)19-11-20-18(12-21(19)34-5)24-26(28-13-29-27(24)30-20)23-15(2)33(4)31-25(23)17-9-7-6-8-10-17;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;1-11-19(13(3)32-29-11)16-8-17-15(9-18(16)31-5)21-23(25-10-26-24(21)27-17)20-12(2)30(4)28-22(20)14-6-7-14;1-11-21(14-5-6-25-9-18(14)28-11)23-22-15-8-19(31-4)16(20-12(2)30-32-13(20)3)7-17(15)29-24(22)27-10-26-23;1-11-21(17(9-25-11)14-5-6-14)23-22-15-8-19(30-4)16(20-12(2)29-31-13(20)3)7-18(15)28-24(22)27-10-26-23;1-12-6-5-7-15(8-12)22-21-16-10-19(28-4)17(20-13(2)27-29-14(20)3)9-18(16)26-23(21)25-11-24-22;1-9-15(10(2)25-22-9)12-6-13-11(7-14(12)24-5)16-17(21-13)19-8-20-18(16)23(3)4;/h2*6-13H,1-5H3,(H,28,29,30);6-11,27H,1-5H3,(H,28,29,30);8-10,14H,6-7H2,1-5H3,(H,25,26,27);5-10,28H,1-4H3,(H,26,27,29);7-8,10,14H,5-6,9H2,1-4H3,(H,26,27,28);5-11H,1-4H3,(H,24,25,26);6-8H,1-5H3,(H,19,20,21);1H4
InChIKeyFXPDHFIFPIYZEL-UHFFFAOYSA-N
MW3370.87 g/mol
LogP42.40
Rot. Bonds28

About 4-[4-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(3-cyclopropyl-5-methyl-2H-pyrrol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N,N-dimethyl-9H-pyrimido[4,5-b]indol-4-amine;4-[4-(1,3-dimethyl-5-phenylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(1,5-dimethyl-3-phenylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;methane;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-4-(3-methylphenyl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;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

4-[4-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(3-cyclopropyl-5-methyl-2H-pyrrol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N,N-dimethyl-9H-pyrimido[4,5-b]indol-4-amine;4-[4-(1,3-dimethyl-5-phenylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(1,5-dimethyl-3-phenylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;methane;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-4-(3-methylphenyl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;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 (PubChem CID 158172257) has the molecular formula C194H181N43O16 and a molecular weight of 3370.87 g/mol. Its IUPAC name is 4-[4-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(3-cyclopropyl-5-methyl-2H-pyrrol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N,N-dimethyl-9H-pyrimido[4,5-b]indol-4-amine;4-[4-(1,3-dimethyl-5-phenylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(1,5-dimethyl-3-phenylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;methane;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-4-(3-methylphenyl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;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.

Molecular Properties

Compound Name4-[4-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(3-cyclopropyl-5-methyl-2H-pyrrol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N,N-dimethyl-9H-pyrimido[4,5-b]indol-4-amine;4-[4-(1,3-dimethyl-5-phenylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(1,5-dimethyl-3-phenylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;methane;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-4-(3-methylphenyl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;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
PubChem CID158172257
Molecular FormulaC194H181N43O16
Molecular Weight3370.87 g/mol
Exact Mass3368.47
IUPAC Name4-[4-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(3-cyclopropyl-5-methyl-2H-pyrrol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N,N-dimethyl-9H-pyrimido[4,5-b]indol-4-amine;4-[4-(1,3-dimethyl-5-phenylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(1,5-dimethyl-3-phenylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;methane;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-4-(3-methylphenyl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;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
SMILESC.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3c(C)[nH]c4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c(-c4ccccc4)nn(C)c3C)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c(C)[nH]c4cnccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c(C)nn(C)c3-c3ccccc3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c(C4CC4)nn(C)c3C)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3cccc(C)c3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(C3=C(C4CC4)CN=C3C)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(N(C)C)c12
InChIInChI=1S/2C27H24N6O2.C26H23N5O2.C24H24N6O2.C24H20N6O2.C24H23N5O2.C23H20N4O2.C18H19N5O2.CH4/c1-14-23(26(33(4)31-14)17-9-7-6-8-10-17)25-24-18-12-21(34-5)19(22-15(2)32-35-16(22)3)11-20(18)30-27(24)29-13-28-25;1-14-22(16(3)35-32-14)19-11-20-18(12-21(19)34-5)24-26(28-13-29-27(24)30-20)23-15(2)33(4)31-25(23)17-9-7-6-8-10-17;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;1-11-19(13(3)32-29-11)16-8-17-15(9-18(16)31-5)21-23(25-10-26-24(21)27-17)20-12(2)30(4)28-22(20)14-6-7-14;1-11-21(14-5-6-25-9-18(14)28-11)23-22-15-8-19(31-4)16(20-12(2)30-32-13(20)3)7-17(15)29-24(22)27-10-26-23;1-11-21(17(9-25-11)14-5-6-14)23-22-15-8-19(30-4)16(20-12(2)29-31-13(20)3)7-18(15)28-24(22)27-10-26-23;1-12-6-5-7-15(8-12)22-21-16-10-19(28-4)17(20-13(2)27-29-14(20)3)9-18(16)26-23(21)25-11-24-22;1-9-15(10(2)25-22-9)12-6-13-11(7-14(12)24-5)16-17(21-13)19-8-20-18(16)23(3)4;/h2*6-13H,1-5H3,(H,28,29,30);6-11,27H,1-5H3,(H,28,29,30);8-10,14H,6-7H2,1-5H3,(H,25,26,27);5-10,28H,1-4H3,(H,26,27,29);7-8,10,14H,5-6,9H2,1-4H3,(H,26,27,28);5-11H,1-4H3,(H,24,25,26);6-8H,1-5H3,(H,19,20,21);1H4
InChIKeyFXPDHFIFPIYZEL-UHFFFAOYSA-N
XLogP42.40
TPSA728.17 Ų
H-Bond Donors10
H-Bond Acceptors49
Rotatable Bonds28
Heavy Atoms253
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003370.87
LogP ≤ 542.40
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1049

Analyze 4-[4-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(3-cyclopropyl-5-methyl-2H-pyrrol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N,N-dimethyl-9H-pyrimido[4,5-b]indol-4-amine;4-[4-(1,3-dimethyl-5-phenylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(1,5-dimethyl-3-phenylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;methane;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-4-(3-methylphenyl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;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 with MolForge

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Related Compounds

4-((3-Cyclopropyl-1-ethyl-1H-pyrazol-5-yl)amino)-7-(3,5-dimethylisoxazol-4-yl)-N-(5-(2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindolin-4-yl)pentyl)-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide
CID 131698639
4-[(3-cyclopropyl-1-ethylpyrazol-5-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]pentyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide
CID 138706000
4-[(3-cyclopropyl-1-ethylpyrazol-5-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hexyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide
CID 145968572
4-[(3-cyclopropyl-1-ethylpyrazol-5-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]hexyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide
CID 145969704
4-[(3-cyclopropyl-1-ethylpyrazol-5-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]butyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide
CID 145971080
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)-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
PROTAC BET degrader-2
CID 137319718

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(3-cyclopropyl-5-methyl-2H-pyrrol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N,N-dimethyl-9H-pyrimido[4,5-b]indol-4-amine;4-[4-(1,3-dimethyl-5-phenylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(1,5-dimethyl-3-phenylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;methane;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-4-(3-methylphenyl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;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?
The IUPAC name of 4-[4-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(3-cyclopropyl-5-methyl-2H-pyrrol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N,N-dimethyl-9H-pyrimido[4,5-b]indol-4-amine;4-[4-(1,3-dimethyl-5-phenylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(1,5-dimethyl-3-phenylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;methane;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-4-(3-methylphenyl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;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 158172257) is 4-[4-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(3-cyclopropyl-5-methyl-2H-pyrrol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N,N-dimethyl-9H-pyrimido[4,5-b]indol-4-amine;4-[4-(1,3-dimethyl-5-phenylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(1,5-dimethyl-3-phenylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;methane;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-4-(3-methylphenyl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;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.
What is the SMILES notation for 4-[4-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(3-cyclopropyl-5-methyl-2H-pyrrol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N,N-dimethyl-9H-pyrimido[4,5-b]indol-4-amine;4-[4-(1,3-dimethyl-5-phenylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(1,5-dimethyl-3-phenylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;methane;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-4-(3-methylphenyl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;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?
The canonical SMILES for 4-[4-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(3-cyclopropyl-5-methyl-2H-pyrrol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N,N-dimethyl-9H-pyrimido[4,5-b]indol-4-amine;4-[4-(1,3-dimethyl-5-phenylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(1,5-dimethyl-3-phenylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;methane;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-4-(3-methylphenyl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;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 is C.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3c(C)[nH]c4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c(-c4ccccc4)nn(C)c3C)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c(C)[nH]c4cnccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c(C)nn(C)c3-c3ccccc3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c(C4CC4)nn(C)c3C)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3cccc(C)c3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(C3=C(C4CC4)CN=C3C)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(N(C)C)c12.
What is the InChIKey of 4-[4-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(3-cyclopropyl-5-methyl-2H-pyrrol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N,N-dimethyl-9H-pyrimido[4,5-b]indol-4-amine;4-[4-(1,3-dimethyl-5-phenylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(1,5-dimethyl-3-phenylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;methane;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-4-(3-methylphenyl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;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?
The InChIKey is FXPDHFIFPIYZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H24N6O2.C26H23N5O2.C24H24N6O2.C24H20N6O2.C24H23N5O2.C23H20N4O2.C18H19N5O2.CH4/c1-14-23(26(33(4)31-14)17-9-7-6-8-10-17)25-24-18-12-21(34-5)19(22-15(2)32-35-16(22)3)11-20(18)30-27(24)29-13-28-25;1-14-22(16(3)35-32-14)19-11-20-18(12-21(19)34-5)24-26(28-13-29-27(24)30-20)23-15(2)33(4)31-25(23)17-9-7-6-8-10-17;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;1-11-19(13(3)32-29-11)16-8-17-15(9-18(16)31-5)21-23(25-10-26-24(21)27-17)20-12(2)30(4)28-22(20)14-6-7-14;1-11-21(14-5-6-25-9-18(14)28-11)23-22-15-8-19(31-4)16(20-12(2)30-32-13(20)3)7-17(15)29-24(22)27-10-26-23;1-11-21(17(9-25-11)14-5-6-14)23-22-15-8-19(30-4)16(20-12(2)29-31-13(20)3)7-18(15)28-24(22)27-10-26-23;1-12-6-5-7-15(8-12)22-21-16-10-19(28-4)17(20-13(2)27-29-14(20)3)9-18(16)26-23(21)25-11-24-22;1-9-15(10(2)25-22-9)12-6-13-11(7-14(12)24-5)16-17(21-13)19-8-20-18(16)23(3)4;/h2*6-13H,1-5H3,(H,28,29,30);6-11,27H,1-5H3,(H,28,29,30);8-10,14H,6-7H2,1-5H3,(H,25,26,27);5-10,28H,1-4H3,(H,26,27,29);7-8,10,14H,5-6,9H2,1-4H3,(H,26,27,28);5-11H,1-4H3,(H,24,25,26);6-8H,1-5H3,(H,19,20,21);1H4.
What are the key properties of 4-[4-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(3-cyclopropyl-5-methyl-2H-pyrrol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N,N-dimethyl-9H-pyrimido[4,5-b]indol-4-amine;4-[4-(1,3-dimethyl-5-phenylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(1,5-dimethyl-3-phenylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;methane;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-4-(3-methylphenyl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;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?
4-[4-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(3-cyclopropyl-5-methyl-2H-pyrrol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N,N-dimethyl-9H-pyrimido[4,5-b]indol-4-amine;4-[4-(1,3-dimethyl-5-phenylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(1,5-dimethyl-3-phenylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;methane;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-4-(3-methylphenyl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;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 has a molecular weight of 3370.87 g/mol, XLogP of 42.40, 28 rotatable bonds, 10 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(3-cyclopropyl-5-methyl-2H-pyrrol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N,N-dimethyl-9H-pyrimido[4,5-b]indol-4-amine;4-[4-(1,3-dimethyl-5-phenylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(1,5-dimethyl-3-phenylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;methane;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-4-(3-methylphenyl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;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 is sourced from PubChem (CID 158172257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).