9-[2-(1,2-diethylimidazol-4-yl)ethoxy]pyrido[1,2-a]indole-10-carbonitrile

C22H22N4O — CID 123309614

IUPAC9-[2-(1,2-diethylimidazol-4-yl)ethoxy]pyrido[1,2-a]indole-10-carbonitrile
SMILESCCc1nc(CCOc2cccn3c2c(C#N)c2ccccc23)cn1CC
InChIInChI=1S/C22H22N4O/c1-3-21-24-16(15-25(21)4-2)11-13-27-20-10-7-12-26-19-9-6-5-8-17(19)18(14-23)22(20)26/h5-10,12,15H,3-4,11,13H2,1-2H3
InChIKeyDUVDXPNBYXDTBA-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.36
Rot. Bonds6

About 9-[2-(1,2-diethylimidazol-4-yl)ethoxy]pyrido[1,2-a]indole-10-carbonitrile

9-[2-(1,2-diethylimidazol-4-yl)ethoxy]pyrido[1,2-a]indole-10-carbonitrile (PubChem CID 123309614) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 9-[2-(1,2-diethylimidazol-4-yl)ethoxy]pyrido[1,2-a]indole-10-carbonitrile.

Molecular Properties

Compound Name9-[2-(1,2-diethylimidazol-4-yl)ethoxy]pyrido[1,2-a]indole-10-carbonitrile
PubChem CID123309614
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name9-[2-(1,2-diethylimidazol-4-yl)ethoxy]pyrido[1,2-a]indole-10-carbonitrile
SMILESCCc1nc(CCOc2cccn3c2c(C#N)c2ccccc23)cn1CC
InChIInChI=1S/C22H22N4O/c1-3-21-24-16(15-25(21)4-2)11-13-27-20-10-7-12-26-19-9-6-5-8-17(19)18(14-23)22(20)26/h5-10,12,15H,3-4,11,13H2,1-2H3
InChIKeyDUVDXPNBYXDTBA-UHFFFAOYSA-N
XLogP4.36
TPSA55.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(1,2-diethylimidazol-4-yl)ethoxy]pyrido[1,2-a]indole-10-carbonitrile?
The IUPAC name of 9-[2-(1,2-diethylimidazol-4-yl)ethoxy]pyrido[1,2-a]indole-10-carbonitrile (CID 123309614) is 9-[2-(1,2-diethylimidazol-4-yl)ethoxy]pyrido[1,2-a]indole-10-carbonitrile.
What is the SMILES notation for 9-[2-(1,2-diethylimidazol-4-yl)ethoxy]pyrido[1,2-a]indole-10-carbonitrile?
The canonical SMILES for 9-[2-(1,2-diethylimidazol-4-yl)ethoxy]pyrido[1,2-a]indole-10-carbonitrile is CCc1nc(CCOc2cccn3c2c(C#N)c2ccccc23)cn1CC.
What is the InChIKey of 9-[2-(1,2-diethylimidazol-4-yl)ethoxy]pyrido[1,2-a]indole-10-carbonitrile?
The InChIKey is DUVDXPNBYXDTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-3-21-24-16(15-25(21)4-2)11-13-27-20-10-7-12-26-19-9-6-5-8-17(19)18(14-23)22(20)26/h5-10,12,15H,3-4,11,13H2,1-2H3.
What are the key properties of 9-[2-(1,2-diethylimidazol-4-yl)ethoxy]pyrido[1,2-a]indole-10-carbonitrile?
9-[2-(1,2-diethylimidazol-4-yl)ethoxy]pyrido[1,2-a]indole-10-carbonitrile has a molecular weight of 358.45 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(1,2-diethylimidazol-4-yl)ethoxy]pyrido[1,2-a]indole-10-carbonitrile is sourced from PubChem (CID 123309614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).