6-[4-[[6-(ethylamino)-2-pyridinyl]methoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile

C23H19F3N6O — CID 59410637

IUPAC6-[4-[[6-(ethylamino)-2-pyridinyl]methoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile
SMILESCCNc1cccc(COc2ccc(-c3cc4c(ncn4C)c(C#N)n3)cc2C(F)(F)F)n1
InChIInChI=1S/C23H19F3N6O/c1-3-28-21-6-4-5-15(30-21)12-33-20-8-7-14(9-16(20)23(24,25)26)17-10-19-22(18(11-27)31-17)29-13-32(19)2/h4-10,13H,3,12H2,1-2H3,(H,28,30)
InChIKeyBEBAZFAPKIWPGR-UHFFFAOYSA-N
MW452.44 g/mol
LogP4.93
Rot. Bonds6

About 6-[4-[[6-(ethylamino)-2-pyridinyl]methoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile

6-[4-[[6-(ethylamino)-2-pyridinyl]methoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile (PubChem CID 59410637) has the molecular formula C23H19F3N6O and a molecular weight of 452.44 g/mol. Its IUPAC name is 6-[4-[[6-(ethylamino)-2-pyridinyl]methoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name6-[4-[[6-(ethylamino)-2-pyridinyl]methoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile
PubChem CID59410637
Molecular FormulaC23H19F3N6O
Molecular Weight452.44 g/mol
Exact Mass452.16
IUPAC Name6-[4-[[6-(ethylamino)-2-pyridinyl]methoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile
SMILESCCNc1cccc(COc2ccc(-c3cc4c(ncn4C)c(C#N)n3)cc2C(F)(F)F)n1
InChIInChI=1S/C23H19F3N6O/c1-3-28-21-6-4-5-15(30-21)12-33-20-8-7-14(9-16(20)23(24,25)26)17-10-19-22(18(11-27)31-17)29-13-32(19)2/h4-10,13H,3,12H2,1-2H3,(H,28,30)
InChIKeyBEBAZFAPKIWPGR-UHFFFAOYSA-N
XLogP4.93
TPSA88.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.44
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[[6-(ethylamino)-2-pyridinyl]methoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile?
The IUPAC name of 6-[4-[[6-(ethylamino)-2-pyridinyl]methoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile (CID 59410637) is 6-[4-[[6-(ethylamino)-2-pyridinyl]methoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile.
What is the SMILES notation for 6-[4-[[6-(ethylamino)-2-pyridinyl]methoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile?
The canonical SMILES for 6-[4-[[6-(ethylamino)-2-pyridinyl]methoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile is CCNc1cccc(COc2ccc(-c3cc4c(ncn4C)c(C#N)n3)cc2C(F)(F)F)n1.
What is the InChIKey of 6-[4-[[6-(ethylamino)-2-pyridinyl]methoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile?
The InChIKey is BEBAZFAPKIWPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O/c1-3-28-21-6-4-5-15(30-21)12-33-20-8-7-14(9-16(20)23(24,25)26)17-10-19-22(18(11-27)31-17)29-13-32(19)2/h4-10,13H,3,12H2,1-2H3,(H,28,30).
What are the key properties of 6-[4-[[6-(ethylamino)-2-pyridinyl]methoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile?
6-[4-[[6-(ethylamino)-2-pyridinyl]methoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile has a molecular weight of 452.44 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[6-(ethylamino)-2-pyridinyl]methoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile is sourced from PubChem (CID 59410637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).