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-(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-(5-phenylcyclopenta-1,4-dien-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-piperidin-1-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-(5-pyridin-4-ylcyclopenta-1,4-dien-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole

C193H161N43O17 — CID 159714902

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-(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-(5-phenylcyclopenta-1,4-dien-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-piperidin-1-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-(5-pyridin-4-ylcyclopenta-1,4-dien-1-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[nH]c4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3nn(C)c4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-n3nnc4ccccc43)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(C3=CCC=C3c3ccccc3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(C3=CCC=C3c3ccncc3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(N3CCCCC3)c12
InChIInChI=1S/C27H22N4O2.C26H21N5O2.C25H20N6O3.C24H20N6O2.2C24H19N5O2.C22H17N7O2.C21H23N5O2/c1-15-24(16(2)33-31-15)21-12-22-20(13-23(21)32-3)25-26(28-14-29-27(25)30-22)19-11-7-10-18(19)17-8-5-4-6-9-17;1-14-23(15(2)33-31-14)20-11-21-19(12-22(20)32-3)24-25(28-13-29-26(24)30-21)18-6-4-5-17(18)16-7-9-27-10-8-16;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;1-12-20(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;1-12-18(13(2)28-25-12)15-9-16-14(10-17(15)27-3)19-20(24-16)22-11-23-21(19)26-7-5-4-6-8-26/h4-6,8-14H,7H2,1-3H3,(H,28,29,30);5-13H,4H2,1-3H3,(H,28,29,30);5-11H,1-4H3,(H,27,28,29);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);9-11H,4-8H2,1-3H3,(H,22,23,24)
InChIKeyMZHNHSXIPSLPAZ-UHFFFAOYSA-N
MW3354.69 g/mol
LogP41.64
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-(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-(5-phenylcyclopenta-1,4-dien-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-piperidin-1-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-(5-pyridin-4-ylcyclopenta-1,4-dien-1-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-(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-(5-phenylcyclopenta-1,4-dien-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-piperidin-1-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-(5-pyridin-4-ylcyclopenta-1,4-dien-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 159714902) has the molecular formula C193H161N43O17 and a molecular weight of 3354.69 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-(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-(5-phenylcyclopenta-1,4-dien-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-piperidin-1-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-(5-pyridin-4-ylcyclopenta-1,4-dien-1-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-(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-(5-phenylcyclopenta-1,4-dien-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-piperidin-1-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-(5-pyridin-4-ylcyclopenta-1,4-dien-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID159714902
Molecular FormulaC193H161N43O17
Molecular Weight3354.69 g/mol
Exact Mass3352.31
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-(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-(5-phenylcyclopenta-1,4-dien-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-piperidin-1-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-(5-pyridin-4-ylcyclopenta-1,4-dien-1-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[nH]c4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3nn(C)c4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-n3nnc4ccccc43)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(C3=CCC=C3c3ccccc3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(C3=CCC=C3c3ccncc3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(N3CCCCC3)c12
InChIInChI=1S/C27H22N4O2.C26H21N5O2.C25H20N6O3.C24H20N6O2.2C24H19N5O2.C22H17N7O2.C21H23N5O2/c1-15-24(16(2)33-31-15)21-12-22-20(13-23(21)32-3)25-26(28-14-29-27(25)30-22)19-11-7-10-18(19)17-8-5-4-6-9-17;1-14-23(15(2)33-31-14)20-11-21-19(12-22(20)32-3)24-25(28-13-29-26(24)30-21)18-6-4-5-17(18)16-7-9-27-10-8-16;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;1-12-20(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;1-12-18(13(2)28-25-12)15-9-16-14(10-17(15)27-3)19-20(24-16)22-11-23-21(19)26-7-5-4-6-8-26/h4-6,8-14H,7H2,1-3H3,(H,28,29,30);5-13H,4H2,1-3H3,(H,28,29,30);5-11H,1-4H3,(H,27,28,29);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);9-11H,4-8H2,1-3H3,(H,22,23,24)
InChIKeyMZHNHSXIPSLPAZ-UHFFFAOYSA-N
XLogP41.64
TPSA738.42 Ų
H-Bond Donors9
H-Bond Acceptors51
Rotatable Bonds27
Heavy Atoms253
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003354.69
LogP ≤ 541.64
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1051

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-(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-(5-phenylcyclopenta-1,4-dien-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-piperidin-1-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-(5-pyridin-4-ylcyclopenta-1,4-dien-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole with MolForge

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Related Compounds

7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methyl-1H-indazol-3-yl)-9H-pyrimido[4,5-b]indol-4-amine
CID 118340603
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)-1,3-dioxoisoindol-4-yl]amino]butyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide
CID 138706022
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]amino]hexyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide
CID 138706024
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]amino]pentyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide
CID 138706131
4-[(3-cyclopropyl-1-ethylpyrazol-5-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]heptyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide
CID 145968870
4-[6-methoxy-4-(1,3,5-trimethylpyrazol-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 90395610
4-(4-imidazol-1-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
CID 90395612
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-[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
4-[4-(benzimidazol-1-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 90395649

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-(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-(5-phenylcyclopenta-1,4-dien-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-piperidin-1-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-(5-pyridin-4-ylcyclopenta-1,4-dien-1-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-(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-(5-phenylcyclopenta-1,4-dien-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-piperidin-1-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-(5-pyridin-4-ylcyclopenta-1,4-dien-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole (CID 159714902) 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-(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-(5-phenylcyclopenta-1,4-dien-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-piperidin-1-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-(5-pyridin-4-ylcyclopenta-1,4-dien-1-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-(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-(5-phenylcyclopenta-1,4-dien-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-piperidin-1-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-(5-pyridin-4-ylcyclopenta-1,4-dien-1-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-(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-(5-phenylcyclopenta-1,4-dien-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-piperidin-1-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-(5-pyridin-4-ylcyclopenta-1,4-dien-1-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[nH]c4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3nn(C)c4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-n3nnc4ccccc43)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(C3=CCC=C3c3ccccc3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(C3=CCC=C3c3ccncc3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(N3CCCCC3)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-(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-(5-phenylcyclopenta-1,4-dien-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-piperidin-1-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-(5-pyridin-4-ylcyclopenta-1,4-dien-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is MZHNHSXIPSLPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O2.C26H21N5O2.C25H20N6O3.C24H20N6O2.2C24H19N5O2.C22H17N7O2.C21H23N5O2/c1-15-24(16(2)33-31-15)21-12-22-20(13-23(21)32-3)25-26(28-14-29-27(25)30-22)19-11-7-10-18(19)17-8-5-4-6-9-17;1-14-23(15(2)33-31-14)20-11-21-19(12-22(20)32-3)24-25(28-13-29-26(24)30-21)18-6-4-5-17(18)16-7-9-27-10-8-16;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;1-12-20(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;1-12-18(13(2)28-25-12)15-9-16-14(10-17(15)27-3)19-20(24-16)22-11-23-21(19)26-7-5-4-6-8-26/h4-6,8-14H,7H2,1-3H3,(H,28,29,30);5-13H,4H2,1-3H3,(H,28,29,30);5-11H,1-4H3,(H,27,28,29);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);9-11H,4-8H2,1-3H3,(H,22,23,24).
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-(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-(5-phenylcyclopenta-1,4-dien-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-piperidin-1-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-(5-pyridin-4-ylcyclopenta-1,4-dien-1-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-(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-(5-phenylcyclopenta-1,4-dien-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-piperidin-1-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-(5-pyridin-4-ylcyclopenta-1,4-dien-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 3354.69 g/mol, XLogP of 41.64, 27 rotatable bonds, 9 hydrogen bond donors, and 51 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-(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-(5-phenylcyclopenta-1,4-dien-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-piperidin-1-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-(5-pyridin-4-ylcyclopenta-1,4-dien-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 159714902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).