4-[[5-[[4-(2H-pyrrol-3-yl)phenyl]methyl]-3H-indol-2-yl]methyl]morpholine

C24H25N3O — CID 158933103

IUPAC4-[[5-[[4-(2H-pyrrol-3-yl)phenyl]methyl]-3H-indol-2-yl]methyl]morpholine
SMILESC1=NCC(c2ccc(Cc3ccc4c(c3)CC(CN3CCOCC3)=N4)cc2)=C1
InChIInChI=1S/C24H25N3O/c1-4-20(21-7-8-25-16-21)5-2-18(1)13-19-3-6-24-22(14-19)15-23(26-24)17-27-9-11-28-12-10-27/h1-8,14H,9-13,15-17H2
InChIKeyJJHULKPYYHYMPM-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.71
Rot. Bonds5

About 4-[[5-[[4-(2H-pyrrol-3-yl)phenyl]methyl]-3H-indol-2-yl]methyl]morpholine

4-[[5-[[4-(2H-pyrrol-3-yl)phenyl]methyl]-3H-indol-2-yl]methyl]morpholine (PubChem CID 158933103) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 4-[[5-[[4-(2H-pyrrol-3-yl)phenyl]methyl]-3H-indol-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-[[4-(2H-pyrrol-3-yl)phenyl]methyl]-3H-indol-2-yl]methyl]morpholine
PubChem CID158933103
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name4-[[5-[[4-(2H-pyrrol-3-yl)phenyl]methyl]-3H-indol-2-yl]methyl]morpholine
SMILESC1=NCC(c2ccc(Cc3ccc4c(c3)CC(CN3CCOCC3)=N4)cc2)=C1
InChIInChI=1S/C24H25N3O/c1-4-20(21-7-8-25-16-21)5-2-18(1)13-19-3-6-24-22(14-19)15-23(26-24)17-27-9-11-28-12-10-27/h1-8,14H,9-13,15-17H2
InChIKeyJJHULKPYYHYMPM-UHFFFAOYSA-N
XLogP3.71
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[[4-(2H-pyrrol-3-yl)phenyl]methyl]-3H-indol-2-yl]methyl]morpholine?
The IUPAC name of 4-[[5-[[4-(2H-pyrrol-3-yl)phenyl]methyl]-3H-indol-2-yl]methyl]morpholine (CID 158933103) is 4-[[5-[[4-(2H-pyrrol-3-yl)phenyl]methyl]-3H-indol-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-[[4-(2H-pyrrol-3-yl)phenyl]methyl]-3H-indol-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-[[4-(2H-pyrrol-3-yl)phenyl]methyl]-3H-indol-2-yl]methyl]morpholine is C1=NCC(c2ccc(Cc3ccc4c(c3)CC(CN3CCOCC3)=N4)cc2)=C1.
What is the InChIKey of 4-[[5-[[4-(2H-pyrrol-3-yl)phenyl]methyl]-3H-indol-2-yl]methyl]morpholine?
The InChIKey is JJHULKPYYHYMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c1-4-20(21-7-8-25-16-21)5-2-18(1)13-19-3-6-24-22(14-19)15-23(26-24)17-27-9-11-28-12-10-27/h1-8,14H,9-13,15-17H2.
What are the key properties of 4-[[5-[[4-(2H-pyrrol-3-yl)phenyl]methyl]-3H-indol-2-yl]methyl]morpholine?
4-[[5-[[4-(2H-pyrrol-3-yl)phenyl]methyl]-3H-indol-2-yl]methyl]morpholine has a molecular weight of 371.48 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[[4-(2H-pyrrol-3-yl)phenyl]methyl]-3H-indol-2-yl]methyl]morpholine is sourced from PubChem (CID 158933103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).