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

C26H22N4O2 — CID 90395743

IUPAC4-[8-methoxy-1-(2-methyl-1H-indol-3-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)[nH]c4ccccc34)c12
InChIInChI=1S/C26H22N4O2/c1-13-24(16-7-5-6-8-19(16)28-13)26-25-17-12-22(31-4)18(23-14(2)30-32-15(23)3)11-21(17)29-20(25)9-10-27-26/h5-12,28-29H,1-4H3
InChIKeyNWYXVTBJGUHMRR-UHFFFAOYSA-N
MW422.49 g/mol
LogP6.45
Rot. Bonds3

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

4-[8-methoxy-1-(2-methyl-1H-indol-3-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 90395743) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is 4-[8-methoxy-1-(2-methyl-1H-indol-3-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[8-methoxy-1-(2-methyl-1H-indol-3-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID90395743
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC Name4-[8-methoxy-1-(2-methyl-1H-indol-3-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)[nH]c4ccccc34)c12
InChIInChI=1S/C26H22N4O2/c1-13-24(16-7-5-6-8-19(16)28-13)26-25-17-12-22(31-4)18(23-14(2)30-32-15(23)3)11-21(17)29-20(25)9-10-27-26/h5-12,28-29H,1-4H3
InChIKeyNWYXVTBJGUHMRR-UHFFFAOYSA-N
XLogP6.45
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.49
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[8-methoxy-1-(2-methyl-1H-indol-3-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[8-methoxy-1-(2-methyl-1H-indol-3-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole (CID 90395743) is 4-[8-methoxy-1-(2-methyl-1H-indol-3-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[8-methoxy-1-(2-methyl-1H-indol-3-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[8-methoxy-1-(2-methyl-1H-indol-3-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole is COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)[nH]c4ccccc34)c12.
What is the InChIKey of 4-[8-methoxy-1-(2-methyl-1H-indol-3-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is NWYXVTBJGUHMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c1-13-24(16-7-5-6-8-19(16)28-13)26-25-17-12-22(31-4)18(23-14(2)30-32-15(23)3)11-21(17)29-20(25)9-10-27-26/h5-12,28-29H,1-4H3.
What are the key properties of 4-[8-methoxy-1-(2-methyl-1H-indol-3-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
4-[8-methoxy-1-(2-methyl-1H-indol-3-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 422.49 g/mol, XLogP of 6.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-methoxy-1-(2-methyl-1H-indol-3-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 90395743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).