4-[1-(2-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-1-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-2-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(3-phenylphenyl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(4-phenylphenyl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole

C135H106FN15O10 — CID 157470009

IUPAC4-[1-(2-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-1-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-2-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(3-phenylphenyl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(4-phenylphenyl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3ccc(-c4ccccc4)cc3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3ccc4ccccc4c3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cccc(-c4ccccc4)c3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cccc4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3ccccc3F)c12
InChIInChI=1S/2C29H23N3O2.2C27H21N3O2.C23H18FN3O2/c1-17-27(18(2)34-32-17)23-15-25-22(16-26(23)33-3)28-24(31-25)12-13-30-29(28)21-11-7-10-20(14-21)19-8-5-4-6-9-19;1-17-27(18(2)34-32-17)23-15-25-22(16-26(23)33-3)28-24(31-25)13-14-30-29(28)21-11-9-20(10-12-21)19-7-5-4-6-8-19;1-15-25(16(2)32-30-15)21-13-23-20(14-24(21)31-3)26-22(29-23)11-12-28-27(26)19-10-6-8-17-7-4-5-9-18(17)19;1-15-25(16(2)32-30-15)21-13-23-20(14-24(21)31-3)26-22(29-23)10-11-28-27(26)19-9-8-17-6-4-5-7-18(17)12-19;1-12-21(13(2)29-27-12)16-10-19-15(11-20(16)28-3)22-18(26-19)8-9-25-23(22)14-6-4-5-7-17(14)24/h2*4-16,31H,1-3H3;2*4-14,29H,1-3H3;4-11,26H,1-3H3
InChIKeyBUXPOHRHUWRSQB-UHFFFAOYSA-N
MW2117.43 g/mol
LogP34.10
Rot. Bonds17

About 4-[1-(2-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-1-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-2-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(3-phenylphenyl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(4-phenylphenyl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole

4-[1-(2-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-1-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-2-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(3-phenylphenyl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(4-phenylphenyl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 157470009) has the molecular formula C135H106FN15O10 and a molecular weight of 2117.43 g/mol. Its IUPAC name is 4-[1-(2-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-1-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-2-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(3-phenylphenyl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(4-phenylphenyl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[1-(2-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-1-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-2-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(3-phenylphenyl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(4-phenylphenyl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID157470009
Molecular FormulaC135H106FN15O10
Molecular Weight2117.43 g/mol
Exact Mass2115.82
IUPAC Name4-[1-(2-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-1-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-2-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(3-phenylphenyl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(4-phenylphenyl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3ccc(-c4ccccc4)cc3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3ccc4ccccc4c3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cccc(-c4ccccc4)c3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cccc4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3ccccc3F)c12
InChIInChI=1S/2C29H23N3O2.2C27H21N3O2.C23H18FN3O2/c1-17-27(18(2)34-32-17)23-15-25-22(16-26(23)33-3)28-24(31-25)12-13-30-29(28)21-11-7-10-20(14-21)19-8-5-4-6-9-19;1-17-27(18(2)34-32-17)23-15-25-22(16-26(23)33-3)28-24(31-25)13-14-30-29(28)21-11-9-20(10-12-21)19-7-5-4-6-8-19;1-15-25(16(2)32-30-15)21-13-23-20(14-24(21)31-3)26-22(29-23)11-12-28-27(26)19-10-6-8-17-7-4-5-9-18(17)19;1-15-25(16(2)32-30-15)21-13-23-20(14-24(21)31-3)26-22(29-23)10-11-28-27(26)19-9-8-17-6-4-5-7-18(17)12-19;1-12-21(13(2)29-27-12)16-10-19-15(11-20(16)28-3)22-18(26-19)8-9-25-23(22)14-6-4-5-7-17(14)24/h2*4-16,31H,1-3H3;2*4-14,29H,1-3H3;4-11,26H,1-3H3
InChIKeyBUXPOHRHUWRSQB-UHFFFAOYSA-N
XLogP34.10
TPSA319.70 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds17
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002117.43
LogP ≤ 534.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze 4-[1-(2-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-1-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-2-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(3-phenylphenyl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(4-phenylphenyl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole with MolForge

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Related Compounds

4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 78322398
4-[1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 90387666
IBETx2-PEG0 (29)
CID 123131632
US9675697, Cpd. No. 3
CID 78322715
US9675697, Cpd. No. 4
CID 78322716
US9675697, Cpd. No. 17
CID 78323348
US9675697, Cpd. No. 44
CID 90395743
IBETx2-PEG0
CID 122172641
4-[1-(2-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 78323027
4-[1-(3-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 78323028
4-[1-(4-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 78323029
2,3-dimethyl-11H-indolo[3,2-c]quinoline-9-carboxamide;N-(2,3-dimethyl-11H-indolo[3,2-c]quinolin-9-yl)acetamide;2,3-dimethyl-9-nitro-11H-indolo[3,2-c]quinoline;2,3-dimethyl-9-(trifluoromethoxy)-11H-indolo[3,2-c]quinoline;2,3-dimethyl-9-(trifluoromethyl)-11H-indolo[3,2-c]quinoline;9-methoxy-2,3-dimethyl-11H-indolo[3,2-c]quinoline
CID 158854684

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-1-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-2-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(3-phenylphenyl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(4-phenylphenyl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[1-(2-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-1-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-2-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(3-phenylphenyl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(4-phenylphenyl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole (CID 157470009) is 4-[1-(2-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-1-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-2-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(3-phenylphenyl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(4-phenylphenyl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[1-(2-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-1-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-2-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(3-phenylphenyl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(4-phenylphenyl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[1-(2-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-1-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-2-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(3-phenylphenyl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(4-phenylphenyl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole is COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3ccc(-c4ccccc4)cc3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3ccc4ccccc4c3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cccc(-c4ccccc4)c3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cccc4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3ccccc3F)c12.
What is the InChIKey of 4-[1-(2-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-1-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-2-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(3-phenylphenyl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(4-phenylphenyl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is BUXPOHRHUWRSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H23N3O2.2C27H21N3O2.C23H18FN3O2/c1-17-27(18(2)34-32-17)23-15-25-22(16-26(23)33-3)28-24(31-25)12-13-30-29(28)21-11-7-10-20(14-21)19-8-5-4-6-9-19;1-17-27(18(2)34-32-17)23-15-25-22(16-26(23)33-3)28-24(31-25)13-14-30-29(28)21-11-9-20(10-12-21)19-7-5-4-6-8-19;1-15-25(16(2)32-30-15)21-13-23-20(14-24(21)31-3)26-22(29-23)11-12-28-27(26)19-10-6-8-17-7-4-5-9-18(17)19;1-15-25(16(2)32-30-15)21-13-23-20(14-24(21)31-3)26-22(29-23)10-11-28-27(26)19-9-8-17-6-4-5-7-18(17)12-19;1-12-21(13(2)29-27-12)16-10-19-15(11-20(16)28-3)22-18(26-19)8-9-25-23(22)14-6-4-5-7-17(14)24/h2*4-16,31H,1-3H3;2*4-14,29H,1-3H3;4-11,26H,1-3H3.
What are the key properties of 4-[1-(2-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-1-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-2-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(3-phenylphenyl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(4-phenylphenyl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
4-[1-(2-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-1-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-2-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(3-phenylphenyl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(4-phenylphenyl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 2117.43 g/mol, XLogP of 34.10, 17 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-fluorophenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-1-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-naphthalen-2-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(3-phenylphenyl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(4-phenylphenyl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 157470009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).