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

C25H20N4O2 — CID 78323348

IUPAC4-[1-(1H-indol-3-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c[nH]c4ccccc34)c12
InChIInChI=1S/C25H20N4O2/c1-13-23(14(2)31-29-13)17-10-21-16(11-22(17)30-3)24-20(28-21)8-9-26-25(24)18-12-27-19-7-5-4-6-15(18)19/h4-12,27-28H,1-3H3
InChIKeyVLGYORZRSHEGRC-UHFFFAOYSA-N
MW408.46 g/mol
LogP6.14
Rot. Bonds3

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

4-[1-(1H-indol-3-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 78323348) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is 4-[1-(1H-indol-3-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[1-(1H-indol-3-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID78323348
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC Name4-[1-(1H-indol-3-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c[nH]c4ccccc34)c12
InChIInChI=1S/C25H20N4O2/c1-13-23(14(2)31-29-13)17-10-21-16(11-22(17)30-3)24-20(28-21)8-9-26-25(24)18-12-27-19-7-5-4-6-15(18)19/h4-12,27-28H,1-3H3
InChIKeyVLGYORZRSHEGRC-UHFFFAOYSA-N
XLogP6.14
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.46
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1H-indol-3-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[1-(1H-indol-3-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole (CID 78323348) is 4-[1-(1H-indol-3-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[1-(1H-indol-3-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[1-(1H-indol-3-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole is COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c[nH]c4ccccc34)c12.
What is the InChIKey of 4-[1-(1H-indol-3-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is VLGYORZRSHEGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c1-13-23(14(2)31-29-13)17-10-21-16(11-22(17)30-3)24-20(28-21)8-9-26-25(24)18-12-27-19-7-5-4-6-15(18)19/h4-12,27-28H,1-3H3.
What are the key properties of 4-[1-(1H-indol-3-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
4-[1-(1H-indol-3-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 408.46 g/mol, XLogP of 6.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1H-indol-3-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 78323348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).