7-(cyanomethoxy)-9-[2-(3-ethoxyphenyl)ethoxy]pyrido[1,2-a]indole-10-carbonitrile

C25H21N3O3 — CID 66667797

IUPAC7-(cyanomethoxy)-9-[2-(3-ethoxyphenyl)ethoxy]pyrido[1,2-a]indole-10-carbonitrile
SMILESCCOc1cccc(CCOc2cc(OCC#N)cn3c2c(C#N)c2ccccc23)c1
InChIInChI=1S/C25H21N3O3/c1-2-29-19-7-5-6-18(14-19)10-12-31-24-15-20(30-13-11-26)17-28-23-9-4-3-8-21(23)22(16-27)25(24)28/h3-9,14-15,17H,2,10,12-13H2,1H3
InChIKeyIETFITABXMQJMD-UHFFFAOYSA-N
MW411.46 g/mol
LogP4.89
Rot. Bonds8

About 7-(cyanomethoxy)-9-[2-(3-ethoxyphenyl)ethoxy]pyrido[1,2-a]indole-10-carbonitrile

7-(cyanomethoxy)-9-[2-(3-ethoxyphenyl)ethoxy]pyrido[1,2-a]indole-10-carbonitrile (PubChem CID 66667797) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is 7-(cyanomethoxy)-9-[2-(3-ethoxyphenyl)ethoxy]pyrido[1,2-a]indole-10-carbonitrile.

Molecular Properties

Compound Name7-(cyanomethoxy)-9-[2-(3-ethoxyphenyl)ethoxy]pyrido[1,2-a]indole-10-carbonitrile
PubChem CID66667797
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC Name7-(cyanomethoxy)-9-[2-(3-ethoxyphenyl)ethoxy]pyrido[1,2-a]indole-10-carbonitrile
SMILESCCOc1cccc(CCOc2cc(OCC#N)cn3c2c(C#N)c2ccccc23)c1
InChIInChI=1S/C25H21N3O3/c1-2-29-19-7-5-6-18(14-19)10-12-31-24-15-20(30-13-11-26)17-28-23-9-4-3-8-21(23)22(16-27)25(24)28/h3-9,14-15,17H,2,10,12-13H2,1H3
InChIKeyIETFITABXMQJMD-UHFFFAOYSA-N
XLogP4.89
TPSA79.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(cyanomethoxy)-9-[2-(3-ethoxyphenyl)ethoxy]pyrido[1,2-a]indole-10-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(cyanomethoxy)-1-[2-(3-ethoxyphenyl)ethoxy]pyrido[1,2-a]indole-10-carboxylic acid
CID 56644096
1-ethoxy-3-(2-ethoxyethyl)benzene
CID 11644076
9-[2-(1,2-diethylimidazol-4-yl)ethoxy]pyrido[1,2-a]indole-10-carbonitrile
CID 123309614
2-[4-[(3-ethoxyphenyl)methylamino]phenoxy]acetonitrile
CID 60871975
7-(dimethylcarbamoyloxy)-9-(2-phenylethoxy)pyrido[1,2-a]indole-10-carboxylic acid
CID 66667017
1-but-3-ynyl-3-ethoxybenzene
CID 164663959
3-[(3-ethoxyphenyl)methyl]-1-phenylindole
CID 26367926
2-[3-(2-naphthalen-2-ylethoxy)phenyl]acetonitrile
CID 141063911
2-[3-methoxy-4-[2-(3-phenylmethoxyphenyl)ethoxy]phenyl]acetonitrile
CID 142620478
2-(benzimidazol-1-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]propanamide
CID 86946514
[10-cyano-1-[(3-ethoxyphenyl)methoxy]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate
CID 66667679
4-methoxy-2-(2-phenylethoxy)benzonitrile
CID 20986806

Frequently Asked Questions

What is the IUPAC name of 7-(cyanomethoxy)-9-[2-(3-ethoxyphenyl)ethoxy]pyrido[1,2-a]indole-10-carbonitrile?
The IUPAC name of 7-(cyanomethoxy)-9-[2-(3-ethoxyphenyl)ethoxy]pyrido[1,2-a]indole-10-carbonitrile (CID 66667797) is 7-(cyanomethoxy)-9-[2-(3-ethoxyphenyl)ethoxy]pyrido[1,2-a]indole-10-carbonitrile.
What is the SMILES notation for 7-(cyanomethoxy)-9-[2-(3-ethoxyphenyl)ethoxy]pyrido[1,2-a]indole-10-carbonitrile?
The canonical SMILES for 7-(cyanomethoxy)-9-[2-(3-ethoxyphenyl)ethoxy]pyrido[1,2-a]indole-10-carbonitrile is CCOc1cccc(CCOc2cc(OCC#N)cn3c2c(C#N)c2ccccc23)c1.
What is the InChIKey of 7-(cyanomethoxy)-9-[2-(3-ethoxyphenyl)ethoxy]pyrido[1,2-a]indole-10-carbonitrile?
The InChIKey is IETFITABXMQJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c1-2-29-19-7-5-6-18(14-19)10-12-31-24-15-20(30-13-11-26)17-28-23-9-4-3-8-21(23)22(16-27)25(24)28/h3-9,14-15,17H,2,10,12-13H2,1H3.
What are the key properties of 7-(cyanomethoxy)-9-[2-(3-ethoxyphenyl)ethoxy]pyrido[1,2-a]indole-10-carbonitrile?
7-(cyanomethoxy)-9-[2-(3-ethoxyphenyl)ethoxy]pyrido[1,2-a]indole-10-carbonitrile has a molecular weight of 411.46 g/mol, XLogP of 4.89, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyanomethoxy)-9-[2-(3-ethoxyphenyl)ethoxy]pyrido[1,2-a]indole-10-carbonitrile is sourced from PubChem (CID 66667797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).