4-[1-[2-chloro-4-[1-(4-chlorophenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxypyrido[4,3-b]indol-5-yl]phenyl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole

C46H34Cl2N6O4 — CID 131974181

IUPAC4-[1-[2-chloro-4-[1-(4-chlorophenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxypyrido[4,3-b]indol-5-yl]phenyl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3ccc(-n4c5cc(-c6c(C)noc6C)c(OC)cc5c5c(-c6ccc(Cl)cc6)nccc54)cc3Cl)c12
InChIInChI=1S/C46H34Cl2N6O4/c1-22-41(24(3)57-52-22)32-18-36-30(20-39(32)55-5)43-35(51-36)13-15-50-46(43)29-12-11-28(17-34(29)48)54-37-14-16-49-45(26-7-9-27(47)10-8-26)44(37)31-21-40(56-6)33(19-38(31)54)42-23(2)53-58-25(42)4/h7-21,51H,1-6H3
InChIKeyADPKENBCXGQOSS-UHFFFAOYSA-N
MW805.72 g/mol
LogP12.41
Rot. Bonds7

About 4-[1-[2-chloro-4-[1-(4-chlorophenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxypyrido[4,3-b]indol-5-yl]phenyl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole

4-[1-[2-chloro-4-[1-(4-chlorophenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxypyrido[4,3-b]indol-5-yl]phenyl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 131974181) has the molecular formula C46H34Cl2N6O4 and a molecular weight of 805.72 g/mol. Its IUPAC name is 4-[1-[2-chloro-4-[1-(4-chlorophenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxypyrido[4,3-b]indol-5-yl]phenyl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[1-[2-chloro-4-[1-(4-chlorophenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxypyrido[4,3-b]indol-5-yl]phenyl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID131974181
Molecular FormulaC46H34Cl2N6O4
Molecular Weight805.72 g/mol
Exact Mass804.20
IUPAC Name4-[1-[2-chloro-4-[1-(4-chlorophenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxypyrido[4,3-b]indol-5-yl]phenyl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3ccc(-n4c5cc(-c6c(C)noc6C)c(OC)cc5c5c(-c6ccc(Cl)cc6)nccc54)cc3Cl)c12
InChIInChI=1S/C46H34Cl2N6O4/c1-22-41(24(3)57-52-22)32-18-36-30(20-39(32)55-5)43-35(51-36)13-15-50-46(43)29-12-11-28(17-34(29)48)54-37-14-16-49-45(26-7-9-27(47)10-8-26)44(37)31-21-40(56-6)33(19-38(31)54)42-23(2)53-58-25(42)4/h7-21,51H,1-6H3
InChIKeyADPKENBCXGQOSS-UHFFFAOYSA-N
XLogP12.41
TPSA117.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.72
LogP ≤ 512.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[1-[2-chloro-4-[1-(4-chlorophenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxypyrido[4,3-b]indol-5-yl]phenyl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-chloro-4-[1-(4-chlorophenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxypyrido[4,3-b]indol-5-yl]phenyl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[1-[2-chloro-4-[1-(4-chlorophenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxypyrido[4,3-b]indol-5-yl]phenyl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole (CID 131974181) is 4-[1-[2-chloro-4-[1-(4-chlorophenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxypyrido[4,3-b]indol-5-yl]phenyl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[1-[2-chloro-4-[1-(4-chlorophenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxypyrido[4,3-b]indol-5-yl]phenyl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[1-[2-chloro-4-[1-(4-chlorophenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxypyrido[4,3-b]indol-5-yl]phenyl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole is COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3ccc(-n4c5cc(-c6c(C)noc6C)c(OC)cc5c5c(-c6ccc(Cl)cc6)nccc54)cc3Cl)c12.
What is the InChIKey of 4-[1-[2-chloro-4-[1-(4-chlorophenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxypyrido[4,3-b]indol-5-yl]phenyl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is ADPKENBCXGQOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34Cl2N6O4/c1-22-41(24(3)57-52-22)32-18-36-30(20-39(32)55-5)43-35(51-36)13-15-50-46(43)29-12-11-28(17-34(29)48)54-37-14-16-49-45(26-7-9-27(47)10-8-26)44(37)31-21-40(56-6)33(19-38(31)54)42-23(2)53-58-25(42)4/h7-21,51H,1-6H3.
What are the key properties of 4-[1-[2-chloro-4-[1-(4-chlorophenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxypyrido[4,3-b]indol-5-yl]phenyl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
4-[1-[2-chloro-4-[1-(4-chlorophenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxypyrido[4,3-b]indol-5-yl]phenyl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 805.72 g/mol, XLogP of 12.41, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-chloro-4-[1-(4-chlorophenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxypyrido[4,3-b]indol-5-yl]phenyl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 131974181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).