3-[[3-methoxy-5-(2-methylpropyl)-6-phenylmethoxypyrazin-2-yl]methyl]-5-methyl-1H-indole

C26H29N3O2 — CID 57176993

IUPAC3-[[3-methoxy-5-(2-methylpropyl)-6-phenylmethoxypyrazin-2-yl]methyl]-5-methyl-1H-indole
SMILESCOc1nc(CC(C)C)c(OCc2ccccc2)nc1Cc1c[nH]c2ccc(C)cc12
InChIInChI=1S/C26H29N3O2/c1-17(2)12-23-26(31-16-19-8-6-5-7-9-19)29-24(25(28-23)30-4)14-20-15-27-22-11-10-18(3)13-21(20)22/h5-11,13,15,17,27H,12,14,16H2,1-4H3
InChIKeyDDRMGKWFJKRKMY-UHFFFAOYSA-N
MW415.54 g/mol
LogP5.64
Rot. Bonds8

About 3-[[3-methoxy-5-(2-methylpropyl)-6-phenylmethoxypyrazin-2-yl]methyl]-5-methyl-1H-indole

3-[[3-methoxy-5-(2-methylpropyl)-6-phenylmethoxypyrazin-2-yl]methyl]-5-methyl-1H-indole (PubChem CID 57176993) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 3-[[3-methoxy-5-(2-methylpropyl)-6-phenylmethoxypyrazin-2-yl]methyl]-5-methyl-1H-indole.

Molecular Properties

Compound Name3-[[3-methoxy-5-(2-methylpropyl)-6-phenylmethoxypyrazin-2-yl]methyl]-5-methyl-1H-indole
PubChem CID57176993
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name3-[[3-methoxy-5-(2-methylpropyl)-6-phenylmethoxypyrazin-2-yl]methyl]-5-methyl-1H-indole
SMILESCOc1nc(CC(C)C)c(OCc2ccccc2)nc1Cc1c[nH]c2ccc(C)cc12
InChIInChI=1S/C26H29N3O2/c1-17(2)12-23-26(31-16-19-8-6-5-7-9-19)29-24(25(28-23)30-4)14-20-15-27-22-11-10-18(3)13-21(20)22/h5-11,13,15,17,27H,12,14,16H2,1-4H3
InChIKeyDDRMGKWFJKRKMY-UHFFFAOYSA-N
XLogP5.64
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[3-methoxy-5-(2-methylpropyl)-6-phenylmethoxypyrazin-2-yl]methyl]-5-methyl-1H-indole with MolForge

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Related Compounds

5-methoxy-3-[[3-methoxy-5-(2-methylpropyl)-6-phenylmethoxypyrazin-2-yl]methyl]-2-methyl-1H-indole
CID 57161878
[6-[(5-bromo-1H-indol-3-yl)methyl]-5-methoxy-3-(2-methylpropyl)pyrazin-2-yl] benzoate
CID 57043823
3-[[3-methoxy-5-(2-methylpropyl)-6-phenylmethoxypyrazin-2-yl]methyl]-2-(2-methylpropyl)-1H-indole
CID 57256783
benzyl 3-[[3-methoxy-5-(2-methylpropyl)-6-phenylmethoxypyrazin-2-yl]methyl]indole-1-carboxylate
CID 10392372
[5-(2-methylpropyl)-6-phenylmethoxy-3-propan-2-yloxypyrazin-2-yl]methanol
CID 57145342
[5-(2-methylpropyl)-6-phenylmethoxy-3-propan-2-ylpyrazin-2-yl]methanol
CID 150196401
(2R)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine
CID 129363588
5-methyl-3-(pyridin-3-ylmethyl)-1H-indole
CID 18940880
[3-bromo-5-(2-methylpropyl)-6-phenylmethoxypyrazin-2-yl]methyl methanesulfonate
CID 57235929
3-(2-nitropropyl)-5-phenylmethoxy-1H-indole
CID 14083171
3-[(2-fluorophenoxy)methyl]-5-methyl-1H-indole
CID 117185110
2-chloro-3-methyl-6-(2-methylpropyl)-5-phenylmethoxypyrazine;prop-1-en-1-ol
CID 174289987

Frequently Asked Questions

What is the IUPAC name of 3-[[3-methoxy-5-(2-methylpropyl)-6-phenylmethoxypyrazin-2-yl]methyl]-5-methyl-1H-indole?
The IUPAC name of 3-[[3-methoxy-5-(2-methylpropyl)-6-phenylmethoxypyrazin-2-yl]methyl]-5-methyl-1H-indole (CID 57176993) is 3-[[3-methoxy-5-(2-methylpropyl)-6-phenylmethoxypyrazin-2-yl]methyl]-5-methyl-1H-indole.
What is the SMILES notation for 3-[[3-methoxy-5-(2-methylpropyl)-6-phenylmethoxypyrazin-2-yl]methyl]-5-methyl-1H-indole?
The canonical SMILES for 3-[[3-methoxy-5-(2-methylpropyl)-6-phenylmethoxypyrazin-2-yl]methyl]-5-methyl-1H-indole is COc1nc(CC(C)C)c(OCc2ccccc2)nc1Cc1c[nH]c2ccc(C)cc12.
What is the InChIKey of 3-[[3-methoxy-5-(2-methylpropyl)-6-phenylmethoxypyrazin-2-yl]methyl]-5-methyl-1H-indole?
The InChIKey is DDRMGKWFJKRKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-17(2)12-23-26(31-16-19-8-6-5-7-9-19)29-24(25(28-23)30-4)14-20-15-27-22-11-10-18(3)13-21(20)22/h5-11,13,15,17,27H,12,14,16H2,1-4H3.
What are the key properties of 3-[[3-methoxy-5-(2-methylpropyl)-6-phenylmethoxypyrazin-2-yl]methyl]-5-methyl-1H-indole?
3-[[3-methoxy-5-(2-methylpropyl)-6-phenylmethoxypyrazin-2-yl]methyl]-5-methyl-1H-indole has a molecular weight of 415.54 g/mol, XLogP of 5.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-methoxy-5-(2-methylpropyl)-6-phenylmethoxypyrazin-2-yl]methyl]-5-methyl-1H-indole is sourced from PubChem (CID 57176993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).