6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(E)-3-morpholin-4-ylprop-1-enyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile

C23H22F3N5O2 — CID 58938131

IUPAC6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(E)-3-morpholin-4-ylprop-1-enyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile
SMILESCCOc1ccc(-c2cc3[nH]c(/C=C/CN4CCOCC4)nc3c(C#N)n2)cc1C(F)(F)F
InChIInChI=1S/C23H22F3N5O2/c1-2-33-20-6-5-15(12-16(20)23(24,25)26)17-13-18-22(19(14-27)28-17)30-21(29-18)4-3-7-31-8-10-32-11-9-31/h3-6,12-13H,2,7-11H2,1H3,(H,29,30)/b4-3+
InChIKeyJNLCECVQNMQKJB-ONEGZZNKSA-N
MW457.46 g/mol
LogP4.26
Rot. Bonds6

About 6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(E)-3-morpholin-4-ylprop-1-enyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile

6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(E)-3-morpholin-4-ylprop-1-enyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile (PubChem CID 58938131) has the molecular formula C23H22F3N5O2 and a molecular weight of 457.46 g/mol. Its IUPAC name is 6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(E)-3-morpholin-4-ylprop-1-enyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(E)-3-morpholin-4-ylprop-1-enyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile
PubChem CID58938131
Molecular FormulaC23H22F3N5O2
Molecular Weight457.46 g/mol
Exact Mass457.17
IUPAC Name6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(E)-3-morpholin-4-ylprop-1-enyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile
SMILESCCOc1ccc(-c2cc3[nH]c(/C=C/CN4CCOCC4)nc3c(C#N)n2)cc1C(F)(F)F
InChIInChI=1S/C23H22F3N5O2/c1-2-33-20-6-5-15(12-16(20)23(24,25)26)17-13-18-22(19(14-27)28-17)30-21(29-18)4-3-7-31-8-10-32-11-9-31/h3-6,12-13H,2,7-11H2,1H3,(H,29,30)/b4-3+
InChIKeyJNLCECVQNMQKJB-ONEGZZNKSA-N
XLogP4.26
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(E)-3-morpholin-4-ylprop-1-enyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile?
The IUPAC name of 6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(E)-3-morpholin-4-ylprop-1-enyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile (CID 58938131) is 6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(E)-3-morpholin-4-ylprop-1-enyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile.
What is the SMILES notation for 6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(E)-3-morpholin-4-ylprop-1-enyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile?
The canonical SMILES for 6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(E)-3-morpholin-4-ylprop-1-enyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile is CCOc1ccc(-c2cc3[nH]c(/C=C/CN4CCOCC4)nc3c(C#N)n2)cc1C(F)(F)F.
What is the InChIKey of 6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(E)-3-morpholin-4-ylprop-1-enyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile?
The InChIKey is JNLCECVQNMQKJB-ONEGZZNKSA-N. The full InChI is InChI=1S/C23H22F3N5O2/c1-2-33-20-6-5-15(12-16(20)23(24,25)26)17-13-18-22(19(14-27)28-17)30-21(29-18)4-3-7-31-8-10-32-11-9-31/h3-6,12-13H,2,7-11H2,1H3,(H,29,30)/b4-3+.
What are the key properties of 6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(E)-3-morpholin-4-ylprop-1-enyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile?
6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(E)-3-morpholin-4-ylprop-1-enyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile has a molecular weight of 457.46 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(E)-3-morpholin-4-ylprop-1-enyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile is sourced from PubChem (CID 58938131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).