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)-4-(6-fluoroquinolin-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-2-yl]propan-2-ol;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylic acid;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;methyl 4-chloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxylate;methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylate

C128H113Cl2FN26O23 — CID 157066940

About 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)-4-(6-fluoroquinolin-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-2-yl]propan-2-ol;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylic acid;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;methyl 4-chloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxylate;methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylate

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)-4-(6-fluoroquinolin-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-2-yl]propan-2-ol;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylic acid;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;methyl 4-chloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxylate;methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylate (PubChem CID 157066940) has the molecular formula C128H113Cl2FN26O23 and a molecular weight of 2473.37 g/mol. Its IUPAC name is 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)-4-(6-fluoroquinolin-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-2-yl]propan-2-ol;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylic acid;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;methyl 4-chloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxylate;methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylate.

Molecular Properties

• Compound Name: 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)-4-(6-fluoroquinolin-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-2-yl]propan-2-ol;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylic acid;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;methyl 4-chloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxylate;methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylate
• PubChem CID: 157066940
• Molecular Formula: C128H113Cl2FN26O23
• Molecular Weight: 2473.37 g/mol
• Exact Mass: 2470.78
• IUPAC Name: 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)-4-(6-fluoroquinolin-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-2-yl]propan-2-ol;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylic acid;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;methyl 4-chloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxylate;methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylate
• SMILES: COC(=O)c1nc(Cl)c2c(n1)[nH]c1cc(-c3c(C)noc3C)c(OC)cc12.COC(=O)c1nc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c2c(=O)[nH]1.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C(=O)O)[nH]c(=O)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C(C)(C)O)nc(-c3ccnc4ccc(F)cc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C(C)(C)O)nc(-c3ccnc4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C(C)(C)O)nc(Cl)c12
• InChI: InChI=1S/C28H24FN5O3.C28H25N5O3.C19H19ClN4O3.C18H15ClN4O4.C18H16N4O5.C17H14N4O5/c1-13-23(14(2)37-34-13)19-11-21-18(12-22(19)36-5)24-25(32-27(28(3,4)35)33-26(24)31-21)16-8-9-30-20-7-6-15(29)10-17(16)20;1-14-23(15(2)36-33-14)19-12-21-18(13-22(19)35-5)24-25(31-27(28(3,4)34)32-26(24)30-21)17-10-11-29-20-9-7-6-8-16(17)20;1-8-14(9(2)27-24-8)11-6-12-10(7-13(11)26-5)15-16(20)22-18(19(3,4)25)23-17(15)21-12;1-7-13(8(2)27-23-7)10-5-11-9(6-12(10)25-3)14-15(19)21-17(18(24)26-4)22-16(14)20-11;1-7-13(8(2)27-22-7)10-5-11-9(6-12(10)25-3)14-15(19-11)20-16(18(24)26-4)21-17(14)23;1-6-12(7(2)26-21-6)9-4-10-8(5-11(9)25-3)13-14(18-10)19-15(17(23)24)20-16(13)22/h6-12,35H,1-5H3,(H,31,32,33);6-13,34H,1-5H3,(H,30,31,32);6-7,25H,1-5H3,(H,21,22,23);5-6H,1-4H3,(H,20,21,22);5-6H,1-4H3,(H2,19,20,21,23);4-5H,1-3H3,(H,23,24)(H2,18,19,20,22)
• InChIKey: ABZGJBJPVZUKPQ-UHFFFAOYSA-N
• XLogP: 24.77
• TPSA: 677.29 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 40
• Rotatable Bonds: 20
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2473.37
LogP ≤ 5	24.77
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 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)-4-(6-fluoroquinolin-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-2-yl]propan-2-ol;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylic acid;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;methyl 4-chloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxylate;methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylate?

The IUPAC name of 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)-4-(6-fluoroquinolin-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-2-yl]propan-2-ol;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylic acid;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;methyl 4-chloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxylate;methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylate (CID 157066940) is 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)-4-(6-fluoroquinolin-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-2-yl]propan-2-ol;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylic acid;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;methyl 4-chloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxylate;methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylate.

What is the SMILES notation for 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)-4-(6-fluoroquinolin-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-2-yl]propan-2-ol;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylic acid;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;methyl 4-chloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxylate;methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylate?

The canonical SMILES for 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)-4-(6-fluoroquinolin-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-2-yl]propan-2-ol;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylic acid;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;methyl 4-chloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxylate;methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylate is COC(=O)c1nc(Cl)c2c(n1)[nH]c1cc(-c3c(C)noc3C)c(OC)cc12.COC(=O)c1nc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c2c(=O)[nH]1.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C(=O)O)[nH]c(=O)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C(C)(C)O)nc(-c3ccnc4ccc(F)cc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C(C)(C)O)nc(-c3ccnc4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C(C)(C)O)nc(Cl)c12.

What is the InChIKey of 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)-4-(6-fluoroquinolin-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-2-yl]propan-2-ol;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylic acid;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;methyl 4-chloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxylate;methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylate?

The InChIKey is ABZGJBJPVZUKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN5O3.C28H25N5O3.C19H19ClN4O3.C18H15ClN4O4.C18H16N4O5.C17H14N4O5/c1-13-23(14(2)37-34-13)19-11-21-18(12-22(19)36-5)24-25(32-27(28(3,4)35)33-26(24)31-21)16-8-9-30-20-7-6-15(29)10-17(16)20;1-14-23(15(2)36-33-14)19-12-21-18(13-22(19)35-5)24-25(31-27(28(3,4)34)32-26(24)30-21)17-10-11-29-20-9-7-6-8-16(17)20;1-8-14(9(2)27-24-8)11-6-12-10(7-13(11)26-5)15-16(20)22-18(19(3,4)25)23-17(15)21-12;1-7-13(8(2)27-23-7)10-5-11-9(6-12(10)25-3)14-15(19)21-17(18(24)26-4)22-16(14)20-11;1-7-13(8(2)27-22-7)10-5-11-9(6-12(10)25-3)14-15(19-11)20-16(18(24)26-4)21-17(14)23;1-6-12(7(2)26-21-6)9-4-10-8(5-11(9)25-3)13-14(18-10)19-15(17(23)24)20-16(13)22/h6-12,35H,1-5H3,(H,31,32,33);6-13,34H,1-5H3,(H,30,31,32);6-7,25H,1-5H3,(H,21,22,23);5-6H,1-4H3,(H,20,21,22);5-6H,1-4H3,(H2,19,20,21,23);4-5H,1-3H3,(H,23,24)(H2,18,19,20,22).

What are the key properties of 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)-4-(6-fluoroquinolin-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-2-yl]propan-2-ol;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylic acid;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;methyl 4-chloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxylate;methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylate?

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)-4-(6-fluoroquinolin-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-2-yl]propan-2-ol;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylic acid;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;methyl 4-chloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxylate;methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylate has a molecular weight of 2473.37 g/mol, XLogP of 24.77, 20 rotatable bonds, 12 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 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)-4-(6-fluoroquinolin-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-2-yl]propan-2-ol;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylic acid;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;methyl 4-chloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxylate;methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylate is sourced from PubChem (CID 157066940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).