5-methoxy-3-[2-(5-methoxy-1H-indol-3-yl)pyrimidin-5-yl]-1H-indole

C22H18N4O2 — CID 54579406

IUPAC5-methoxy-3-[2-(5-methoxy-1H-indol-3-yl)pyrimidin-5-yl]-1H-indole
SMILESCOc1ccc2[nH]cc(-c3cnc(-c4c[nH]c5ccc(OC)cc45)nc3)c2c1
InChIInChI=1S/C22H18N4O2/c1-27-14-3-5-20-16(7-14)18(11-23-20)13-9-25-22(26-10-13)19-12-24-21-6-4-15(28-2)8-17(19)21/h3-12,23-24H,1-2H3
InChIKeyXRHOHRJEKXITBW-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.79
Rot. Bonds4

About 5-methoxy-3-[2-(5-methoxy-1H-indol-3-yl)pyrimidin-5-yl]-1H-indole

5-methoxy-3-[2-(5-methoxy-1H-indol-3-yl)pyrimidin-5-yl]-1H-indole (PubChem CID 54579406) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 5-methoxy-3-[2-(5-methoxy-1H-indol-3-yl)pyrimidin-5-yl]-1H-indole.

Molecular Properties

Compound Name5-methoxy-3-[2-(5-methoxy-1H-indol-3-yl)pyrimidin-5-yl]-1H-indole
PubChem CID54579406
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name5-methoxy-3-[2-(5-methoxy-1H-indol-3-yl)pyrimidin-5-yl]-1H-indole
SMILESCOc1ccc2[nH]cc(-c3cnc(-c4c[nH]c5ccc(OC)cc45)nc3)c2c1
InChIInChI=1S/C22H18N4O2/c1-27-14-3-5-20-16(7-14)18(11-23-20)13-9-25-22(26-10-13)19-12-24-21-6-4-15(28-2)8-17(19)21/h3-12,23-24H,1-2H3
InChIKeyXRHOHRJEKXITBW-UHFFFAOYSA-N
XLogP4.79
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[2-(5-methoxy-1H-indol-3-yl)pyrimidin-5-yl]-1H-indole?
The IUPAC name of 5-methoxy-3-[2-(5-methoxy-1H-indol-3-yl)pyrimidin-5-yl]-1H-indole (CID 54579406) is 5-methoxy-3-[2-(5-methoxy-1H-indol-3-yl)pyrimidin-5-yl]-1H-indole.
What is the SMILES notation for 5-methoxy-3-[2-(5-methoxy-1H-indol-3-yl)pyrimidin-5-yl]-1H-indole?
The canonical SMILES for 5-methoxy-3-[2-(5-methoxy-1H-indol-3-yl)pyrimidin-5-yl]-1H-indole is COc1ccc2[nH]cc(-c3cnc(-c4c[nH]c5ccc(OC)cc45)nc3)c2c1.
What is the InChIKey of 5-methoxy-3-[2-(5-methoxy-1H-indol-3-yl)pyrimidin-5-yl]-1H-indole?
The InChIKey is XRHOHRJEKXITBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-27-14-3-5-20-16(7-14)18(11-23-20)13-9-25-22(26-10-13)19-12-24-21-6-4-15(28-2)8-17(19)21/h3-12,23-24H,1-2H3.
What are the key properties of 5-methoxy-3-[2-(5-methoxy-1H-indol-3-yl)pyrimidin-5-yl]-1H-indole?
5-methoxy-3-[2-(5-methoxy-1H-indol-3-yl)pyrimidin-5-yl]-1H-indole has a molecular weight of 370.41 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[2-(5-methoxy-1H-indol-3-yl)pyrimidin-5-yl]-1H-indole is sourced from PubChem (CID 54579406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).