[6-methoxy-1-(pyridin-4-ylmethyl)indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone

C25H24N2O5 — CID 10071452

IUPAC[6-methoxy-1-(pyridin-4-ylmethyl)indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)cn(Cc3ccncc3)c2c1
InChIInChI=1S/C25H24N2O5/c1-29-18-5-6-19-20(15-27(21(19)13-18)14-16-7-9-26-10-8-16)24(28)17-11-22(30-2)25(32-4)23(12-17)31-3/h5-13,15H,14H2,1-4H3
InChIKeyBFPMUXZHSNWZLM-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.35
Rot. Bonds8

About [6-methoxy-1-(pyridin-4-ylmethyl)indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone

[6-methoxy-1-(pyridin-4-ylmethyl)indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 10071452) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is [6-methoxy-1-(pyridin-4-ylmethyl)indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[6-methoxy-1-(pyridin-4-ylmethyl)indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID10071452
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC Name[6-methoxy-1-(pyridin-4-ylmethyl)indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)cn(Cc3ccncc3)c2c1
InChIInChI=1S/C25H24N2O5/c1-29-18-5-6-19-20(15-27(21(19)13-18)14-16-7-9-26-10-8-16)24(28)17-11-22(30-2)25(32-4)23(12-17)31-3/h5-13,15H,14H2,1-4H3
InChIKeyBFPMUXZHSNWZLM-UHFFFAOYSA-N
XLogP4.35
TPSA71.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-methoxy-1-(pyridin-4-ylmethyl)indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [6-methoxy-1-(pyridin-4-ylmethyl)indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 10071452) is [6-methoxy-1-(pyridin-4-ylmethyl)indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [6-methoxy-1-(pyridin-4-ylmethyl)indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [6-methoxy-1-(pyridin-4-ylmethyl)indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)cn(Cc3ccncc3)c2c1.
What is the InChIKey of [6-methoxy-1-(pyridin-4-ylmethyl)indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is BFPMUXZHSNWZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-29-18-5-6-19-20(15-27(21(19)13-18)14-16-7-9-26-10-8-16)24(28)17-11-22(30-2)25(32-4)23(12-17)31-3/h5-13,15H,14H2,1-4H3.
What are the key properties of [6-methoxy-1-(pyridin-4-ylmethyl)indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
[6-methoxy-1-(pyridin-4-ylmethyl)indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 432.48 g/mol, XLogP of 4.35, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-1-(pyridin-4-ylmethyl)indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 10071452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).